N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide

C20H23N5O2 — CID 49055281

IUPACN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c2ccccc21
InChIInChI=1S/C20H23N5O2/c1-24-12-17(16-8-4-5-9-18(16)24)20(27)23-15-10-21-25(11-15)13-19(26)22-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyCKCKCGRTYYVXGB-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.69
Rot. Bonds5

About N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide (PubChem CID 49055281) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
PubChem CID49055281
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c2ccccc21
InChIInChI=1S/C20H23N5O2/c1-24-12-17(16-8-4-5-9-18(16)24)20(27)23-15-10-21-25(11-15)13-19(26)22-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyCKCKCGRTYYVXGB-UHFFFAOYSA-N
XLogP2.69
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119944643
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055697
4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055601
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide
CID 48952899
1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
CID 47068134
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
CID 120589040
N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 64911107

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide (CID 49055281) is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c2ccccc21.
What is the InChIKey of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide?
The InChIKey is CKCKCGRTYYVXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24-12-17(16-8-4-5-9-18(16)24)20(27)23-15-10-21-25(11-15)13-19(26)22-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7,13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide?
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 49055281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).