5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide

C21H26N4O2 — CID 70753002

IUPAC5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C21H26N4O2/c26-13-16(10-15-11-22-19-9-5-4-8-17(15)19)24-21(27)18-12-23-25-20(18)14-6-2-1-3-7-14/h4-5,8-9,11-12,14,16,22,26H,1-3,6-7,10,13H2,(H,23,25)(H,24,27)/t16-/m0/s1
InChIKeyNZKWTTFRPNKFOL-INIZCTEOSA-N
MW366.47 g/mol
LogP3.27
Rot. Bonds6

About 5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide

5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 70753002) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID70753002
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C21H26N4O2/c26-13-16(10-15-11-22-19-9-5-4-8-17(15)19)24-21(27)18-12-23-25-20(18)14-6-2-1-3-7-14/h4-5,8-9,11-12,14,16,22,26H,1-3,6-7,10,13H2,(H,23,25)(H,24,27)/t16-/m0/s1
InChIKeyNZKWTTFRPNKFOL-INIZCTEOSA-N
XLogP3.27
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 75515213
2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
(8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124625161
2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 58832129
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(hydroxymethyl)-2-propan-2-yloxybenzamide
CID 71036031
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide
CID 124516062
9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 71024265
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 70718086
7-(5-cyclohexylpent-1-ynyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide
CID 25206919
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 128998937
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-7-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 59786728

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide (CID 70753002) is 5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide is O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is NZKWTTFRPNKFOL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-13-16(10-15-11-22-19-9-5-4-8-17(15)19)24-21(27)18-12-23-25-20(18)14-6-2-1-3-7-14/h4-5,8-9,11-12,14,16,22,26H,1-3,6-7,10,13H2,(H,23,25)(H,24,27)/t16-/m0/s1.
What are the key properties of 5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70753002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).