N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide

C18H31N5O — CID 72879061

IUPACN-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCCC[C@H]1CN(C2CCCC2)C[C@@H]1NC(=O)CCc1n[nH]c(C)n1
InChIInChI=1S/C18H31N5O/c1-3-6-14-11-23(15-7-4-5-8-15)12-16(14)20-18(24)10-9-17-19-13(2)21-22-17/h14-16H,3-12H2,1-2H3,(H,20,24)(H,19,21,22)/t14-,16-/m0/s1
InChIKeySLGAXRGVYZQPDI-HOCLYGCPSA-N
MW333.48 g/mol
LogP2.21
Rot. Bonds7

About N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide

N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 72879061) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID72879061
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCCC[C@H]1CN(C2CCCC2)C[C@@H]1NC(=O)CCc1n[nH]c(C)n1
InChIInChI=1S/C18H31N5O/c1-3-6-14-11-23(15-7-4-5-8-15)12-16(14)20-18(24)10-9-17-19-13(2)21-22-17/h14-16H,3-12H2,1-2H3,(H,20,24)(H,19,21,22)/t14-,16-/m0/s1
InChIKeySLGAXRGVYZQPDI-HOCLYGCPSA-N
XLogP2.21
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-isobutyl-4-(3-isobutyl-1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
CID 50948113
(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-1-methyl-N-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 56712691
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide
CID 56917087
n-[(3s,4s)-4-(3-Methyl-1h-1,2,4-triazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 86820534
1-[2-(Azepan-1-YL)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-YL)pyrrolidine-3-carboxamide
CID 91911165
2-cyclopentyl-1-{3-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidinyl}-1-ethanone
CID 91914622
cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 110194773
(4S)-4-(acetylamino)-4-(3-isobutyl-1H-1,2,4-triazol-5-yl)butanamide
CID 50967257
N-{rel-(3R,4S)-1-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)methyl]-4-propyl-3-pyrrolidinyl}cyclobutanecarboxamide hydrochloride
CID 72913811
1-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 95207918
(3S)-1-cyclohexyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
CID 97591684
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide
CID 99951540

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (CID 72879061) is N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is CCC[C@H]1CN(C2CCCC2)C[C@@H]1NC(=O)CCc1n[nH]c(C)n1.
What is the InChIKey of N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is SLGAXRGVYZQPDI-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H31N5O/c1-3-6-14-11-23(15-7-4-5-8-15)12-16(14)20-18(24)10-9-17-19-13(2)21-22-17/h14-16H,3-12H2,1-2H3,(H,20,24)(H,19,21,22)/t14-,16-/m0/s1.
What are the key properties of N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 72879061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).