4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide

C17H21N5O3 — CID 48952899

IUPAC4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1
InChIInChI=1S/C17H21N5O3/c1-11(23)12-6-15(18-7-12)17(25)21-14-8-19-22(9-14)10-16(24)20-13-4-2-3-5-13/h6-9,13,18H,2-5,10H2,1H3,(H,20,24)(H,21,25)
InChIKeyHOAYJYZWGMXTKO-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.72
Rot. Bonds6

About 4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 48952899) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID48952899
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1
InChIInChI=1S/C17H21N5O3/c1-11(23)12-6-15(18-7-12)17(25)21-14-8-19-22(9-14)10-16(24)20-13-4-2-3-5-13/h6-9,13,18H,2-5,10H2,1H3,(H,20,24)(H,21,25)
InChIKeyHOAYJYZWGMXTKO-UHFFFAOYSA-N
XLogP1.72
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
CID 60544430
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055601
3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055697
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
CID 49055281
4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119292222
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide (CID 48952899) is 4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1.
What is the InChIKey of 4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is HOAYJYZWGMXTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11(23)12-6-15(18-7-12)17(25)21-14-8-19-22(9-14)10-16(24)20-13-4-2-3-5-13/h6-9,13,18H,2-5,10H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 48952899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).