[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone

C18H29ClN4O — CID 124681798

IUPAC[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone
SMILESCc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](N)C1
InChIInChI=1S/C18H29ClN4O/c1-11(2)10-23-17(19)16(12(3)21-23)15-5-4-8-22(15)18(24)13-6-7-14(20)9-13/h11,13-15H,4-10,20H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeyCNMMFUDIXMCWRL-KFWWJZLASA-N
MW352.91 g/mol
LogP3.29
Rot. Bonds4

About [(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone

[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone (PubChem CID 124681798) has the molecular formula C18H29ClN4O and a molecular weight of 352.91 g/mol. Its IUPAC name is [(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone
PubChem CID124681798
Molecular FormulaC18H29ClN4O
Molecular Weight352.91 g/mol
Exact Mass352.20
IUPAC Name[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone
SMILESCc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](N)C1
InChIInChI=1S/C18H29ClN4O/c1-11(2)10-23-17(19)16(12(3)21-23)15-5-4-8-22(15)18(24)13-6-7-14(20)9-13/h11,13-15H,4-10,20H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeyCNMMFUDIXMCWRL-KFWWJZLASA-N
XLogP3.29
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one
CID 122140242
[(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 99776174
methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 167815516
[(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735790
3-bromo-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-2-methylpyridine
CID 167978780
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
(3-aminocyclopentyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 119877945
(3-aminocyclopentyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 119785073
(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 119797212
4-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133472487
4-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 167921473
1-tert-butyl-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 167985238

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone (CID 124681798) is [(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone is Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](N)C1.
What is the InChIKey of [(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone?
The InChIKey is CNMMFUDIXMCWRL-KFWWJZLASA-N. The full InChI is InChI=1S/C18H29ClN4O/c1-11(2)10-23-17(19)16(12(3)21-23)15-5-4-8-22(15)18(24)13-6-7-14(20)9-13/h11,13-15H,4-10,20H2,1-3H3/t13-,14-,15+/m1/s1.
What are the key properties of [(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone?
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone has a molecular weight of 352.91 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124681798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).