(2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C18H27N5O3 — CID 146119140

IUPAC(2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnn([C@H]2C[C@@H](CO)N(C(=O)NC3CCCC3)C2)c1)C1CC1
InChIInChI=1S/C18H27N5O3/c24-11-16-7-15(10-22(16)18(26)21-13-3-1-2-4-13)23-9-14(8-19-23)20-17(25)12-5-6-12/h8-9,12-13,15-16,24H,1-7,10-11H2,(H,20,25)(H,21,26)/t15-,16-/m0/s1
InChIKeyMKGQJVVYUQYCOJ-HOTGVXAUSA-N
MW361.45 g/mol
LogP1.49
Rot. Bonds5

About (2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 146119140) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is (2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID146119140
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name(2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnn([C@H]2C[C@@H](CO)N(C(=O)NC3CCCC3)C2)c1)C1CC1
InChIInChI=1S/C18H27N5O3/c24-11-16-7-15(10-22(16)18(26)21-13-3-1-2-4-13)23-9-14(8-19-23)20-17(25)12-5-6-12/h8-9,12-13,15-16,24H,1-7,10-11H2,(H,20,25)(H,21,26)/t15-,16-/m0/s1
InChIKeyMKGQJVVYUQYCOJ-HOTGVXAUSA-N
XLogP1.49
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119052
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
9-amino-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988026
1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900915
1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
CID 90597726

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 146119140) is (2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(Nc1cnn([C@H]2C[C@@H](CO)N(C(=O)NC3CCCC3)C2)c1)C1CC1.
What is the InChIKey of (2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is MKGQJVVYUQYCOJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H27N5O3/c24-11-16-7-15(10-22(16)18(26)21-13-3-1-2-4-13)23-9-14(8-19-23)20-17(25)12-5-6-12/h8-9,12-13,15-16,24H,1-7,10-11H2,(H,20,25)(H,21,26)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146119140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).