N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide

C22H35N5O3 — CID 146119303

IUPACN-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)COC[C@@H]1C[C@H](n2cc(NC(=O)C3CC3)cn2)CN1C1CCCCC1
InChIInChI=1S/C22H35N5O3/c1-25(2)21(28)15-30-14-20-10-19(13-26(20)18-6-4-3-5-7-18)27-12-17(11-23-27)24-22(29)16-8-9-16/h11-12,16,18-20H,3-10,13-15H2,1-2H3,(H,24,29)/t19-,20-/m0/s1
InChIKeyLSBWABFRBPOMSK-PMACEKPBSA-N
MW417.55 g/mol
LogP2.28
Rot. Bonds8

About N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide

N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide (PubChem CID 146119303) has the molecular formula C22H35N5O3 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
PubChem CID146119303
Molecular FormulaC22H35N5O3
Molecular Weight417.55 g/mol
Exact Mass417.27
IUPAC NameN-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)COC[C@@H]1C[C@H](n2cc(NC(=O)C3CC3)cn2)CN1C1CCCCC1
InChIInChI=1S/C22H35N5O3/c1-25(2)21(28)15-30-14-20-10-19(13-26(20)18-6-4-3-5-7-18)27-12-17(11-23-27)24-22(29)16-8-9-16/h11-12,16,18-20H,3-10,13-15H2,1-2H3,(H,24,29)/t19-,20-/m0/s1
InChIKeyLSBWABFRBPOMSK-PMACEKPBSA-N
XLogP2.28
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119310
(2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide
CID 146119238
(2S,4S)-4-(4-acetamidopyrazol-1-yl)-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 146119242
N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
CID 146118992
(2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 146119140
N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119052
(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-N-(4-fluorophenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 146118972
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
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-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide (CID 146119303) is N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide is CN(C)C(=O)COC[C@@H]1C[C@H](n2cc(NC(=O)C3CC3)cn2)CN1C1CCCCC1.
What is the InChIKey of N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide?
The InChIKey is LSBWABFRBPOMSK-PMACEKPBSA-N. The full InChI is InChI=1S/C22H35N5O3/c1-25(2)21(28)15-30-14-20-10-19(13-26(20)18-6-4-3-5-7-18)27-12-17(11-23-27)24-22(29)16-8-9-16/h11-12,16,18-20H,3-10,13-15H2,1-2H3,(H,24,29)/t19-,20-/m0/s1.
What are the key properties of N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide?
N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide has a molecular weight of 417.55 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146119303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).