N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide

C19H22N4O — CID 57399465

IUPACN-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C19H22N4O/c24-19(21-9-13-4-2-1-3-5-13)17-12-20-18-8-14(6-7-16(17)18)15-10-22-23-11-15/h6-8,10-13,20H,1-5,9H2,(H,21,24)(H,22,23)
InChIKeyBYYDKOIEHCMIEC-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.87
Rot. Bonds4

About N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide

N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide (PubChem CID 57399465) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
PubChem CID57399465
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C19H22N4O/c24-19(21-9-13-4-2-1-3-5-13)17-12-20-18-8-14(6-7-16(17)18)15-10-22-23-11-15/h6-8,10-13,20H,1-5,9H2,(H,21,24)(H,22,23)
InChIKeyBYYDKOIEHCMIEC-UHFFFAOYSA-N
XLogP3.87
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide (CID 57399465) is N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide is O=C(NCC1CCCCC1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12.
What is the InChIKey of N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The InChIKey is BYYDKOIEHCMIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(21-9-13-4-2-1-3-5-13)17-12-20-18-8-14(6-7-16(17)18)15-10-22-23-11-15/h6-8,10-13,20H,1-5,9H2,(H,21,24)(H,22,23).
What are the key properties of N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 57399465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).