(2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide

C16H28N4O — CID 95228275

IUPAC(2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide
SMILESCc1n[nH]c(C)c1CCCN[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C16H28N4O/c1-11-15(12(2)20-19-11)9-6-10-17-13(3)16(21)18-14-7-4-5-8-14/h13-14,17H,4-10H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyBZKPBPMMSDTQEY-ZDUSSCGKSA-N
MW292.43 g/mol
LogP2.00
Rot. Bonds7

About (2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide

(2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide (PubChem CID 95228275) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide
PubChem CID95228275
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide
SMILESCc1n[nH]c(C)c1CCCN[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C16H28N4O/c1-11-15(12(2)20-19-11)9-6-10-17-13(3)16(21)18-14-7-4-5-8-14/h13-14,17H,4-10H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyBZKPBPMMSDTQEY-ZDUSSCGKSA-N
XLogP2.00
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide (CID 95228275) is (2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide is Cc1n[nH]c(C)c1CCCN[C@@H](C)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide?
The InChIKey is BZKPBPMMSDTQEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11-15(12(2)20-19-11)9-6-10-17-13(3)16(21)18-14-7-4-5-8-14/h13-14,17H,4-10H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide?
(2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide has a molecular weight of 292.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide is sourced from PubChem (CID 95228275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).