(2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide

C18H30N4O2 — CID 95750877

IUPAC(2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
SMILESCOc1c([C@H]2CCCN2[C@@H](C)C(=O)NC2CCCC2)c(C)nn1C
InChIInChI=1S/C18H30N4O2/c1-12-16(18(24-4)21(3)20-12)15-10-7-11-22(15)13(2)17(23)19-14-8-5-6-9-14/h13-15H,5-11H2,1-4H3,(H,19,23)/t13-,15+/m0/s1
InChIKeyKOKKCSYSRPWXMZ-DZGCQCFKSA-N
MW334.46 g/mol
LogP2.32
Rot. Bonds5

About (2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide

(2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide (PubChem CID 95750877) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
PubChem CID95750877
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
SMILESCOc1c([C@H]2CCCN2[C@@H](C)C(=O)NC2CCCC2)c(C)nn1C
InChIInChI=1S/C18H30N4O2/c1-12-16(18(24-4)21(3)20-12)15-10-7-11-22(15)13(2)17(23)19-14-8-5-6-9-14/h13-15H,5-11H2,1-4H3,(H,19,23)/t13-,15+/m0/s1
InChIKeyKOKKCSYSRPWXMZ-DZGCQCFKSA-N
XLogP2.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide (CID 95750877) is (2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide is COc1c([C@H]2CCCN2[C@@H](C)C(=O)NC2CCCC2)c(C)nn1C.
What is the InChIKey of (2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is KOKKCSYSRPWXMZ-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-12-16(18(24-4)21(3)20-12)15-10-7-11-22(15)13(2)17(23)19-14-8-5-6-9-14/h13-15H,5-11H2,1-4H3,(H,19,23)/t13-,15+/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide?
(2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95750877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).