(2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide

C19H32N6O4 — CID 146119238

IUPAC(2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide
SMILESCC(=O)Nc1cnn([C@H]2C[C@@H](COCC(=O)N(C)C)N(C(=O)NC(C)(C)C)C2)c1
InChIInChI=1S/C19H32N6O4/c1-13(26)21-14-8-20-25(9-14)15-7-16(11-29-12-17(27)23(5)6)24(10-15)18(28)22-19(2,3)4/h8-9,15-16H,7,10-12H2,1-6H3,(H,21,26)(H,22,28)/t15-,16-/m0/s1
InChIKeyKHMFUAPMQIDBIJ-HOTGVXAUSA-N
MW408.50 g/mol
LogP1.07
Rot. Bonds6

About (2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide

(2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide (PubChem CID 146119238) has the molecular formula C19H32N6O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide
PubChem CID146119238
Molecular FormulaC19H32N6O4
Molecular Weight408.50 g/mol
Exact Mass408.25
IUPAC Name(2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide
SMILESCC(=O)Nc1cnn([C@H]2C[C@@H](COCC(=O)N(C)C)N(C(=O)NC(C)(C)C)C2)c1
InChIInChI=1S/C19H32N6O4/c1-13(26)21-14-8-20-25(9-14)15-7-16(11-29-12-17(27)23(5)6)24(10-15)18(28)22-19(2,3)4/h8-9,15-16H,7,10-12H2,1-6H3,(H,21,26)(H,22,28)/t15-,16-/m0/s1
InChIKeyKHMFUAPMQIDBIJ-HOTGVXAUSA-N
XLogP1.07
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-4-(4-acetamidopyrazol-1-yl)-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 146119242
(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 146119291
N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119303
N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119310
N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-fluorobenzamide
CID 146119367
N-[1-[(3S,5S)-1-[(4-chloro-3-fluorophenyl)methyl]-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-fluorobenzamide
CID 146119359
N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
CID 146118992
(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-N-(4-fluorophenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 146118972
N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
CID 146119025
N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
CID 146119028
N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride
CID 142434812
(2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 146118989

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide (CID 146119238) is (2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide is CC(=O)Nc1cnn([C@H]2C[C@@H](COCC(=O)N(C)C)N(C(=O)NC(C)(C)C)C2)c1.
What is the InChIKey of (2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide?
The InChIKey is KHMFUAPMQIDBIJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H32N6O4/c1-13(26)21-14-8-20-25(9-14)15-7-16(11-29-12-17(27)23(5)6)24(10-15)18(28)22-19(2,3)4/h8-9,15-16H,7,10-12H2,1-6H3,(H,21,26)(H,22,28)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide?
(2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 146119238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).