N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide

C21H26N4O2 — CID 166286061

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide
SMILESCc1ccc2c(ccn2CCC(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)c1
InChIInChI=1S/C21H26N4O2/c1-15-3-4-19-17(11-15)5-9-24(19)10-6-21(27)23-18-12-16(13-20(18)26)14-25-8-2-7-22-25/h2-5,7-9,11,16,18,20,26H,6,10,12-14H2,1H3,(H,23,27)/t16?,18-,20-/m1/s1
InChIKeyPZSPMQQFBPTZBK-PUGIBVIZSA-N
MW366.47 g/mol
LogP2.49
Rot. Bonds6

About N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide (PubChem CID 166286061) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide
PubChem CID166286061
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide
SMILESCc1ccc2c(ccn2CCC(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)c1
InChIInChI=1S/C21H26N4O2/c1-15-3-4-19-17(11-15)5-9-24(19)10-6-21(27)23-18-12-16(13-20(18)26)14-25-8-2-7-22-25/h2-5,7-9,11,16,18,20,26H,6,10,12-14H2,1H3,(H,23,27)/t16?,18-,20-/m1/s1
InChIKeyPZSPMQQFBPTZBK-PUGIBVIZSA-N
XLogP2.49
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methylindol-1-yl)acetamide
CID 166286144
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 146110037
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(6-methoxy-3-pyridinyl)propanamide
CID 154795160
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide
CID 146110013
2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 167877600
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 167791193
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
CID 166286067
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(5-methylindol-1-yl)propan-1-one
CID 166282648
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 146113906
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-methoxyisoquinoline-3-carboxamide
CID 166310731
trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285873

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide (CID 166286061) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide is Cc1ccc2c(ccn2CCC(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)c1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide?
The InChIKey is PZSPMQQFBPTZBK-PUGIBVIZSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-3-4-19-17(11-15)5-9-24(19)10-6-21(27)23-18-12-16(13-20(18)26)14-25-8-2-7-22-25/h2-5,7-9,11,16,18,20,26H,6,10,12-14H2,1H3,(H,23,27)/t16?,18-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide is sourced from PubChem (CID 166286061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).