3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide

C17H19BrN4O2 — CID 49055697

IUPAC3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESO=C(Cn1cc(NC(=O)c2cccc(Br)c2)cn1)NC1CCCC1
InChIInChI=1S/C17H19BrN4O2/c18-13-5-3-4-12(8-13)17(24)21-15-9-19-22(10-15)11-16(23)20-14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,20,23)(H,21,24)
InChIKeySKEVXYBWXMJLCO-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.96
Rot. Bonds5

About 3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide

3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide (PubChem CID 49055697) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
PubChem CID49055697
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESO=C(Cn1cc(NC(=O)c2cccc(Br)c2)cn1)NC1CCCC1
InChIInChI=1S/C17H19BrN4O2/c18-13-5-3-4-12(8-13)17(24)21-15-9-19-22(10-15)11-16(23)20-14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,20,23)(H,21,24)
InChIKeySKEVXYBWXMJLCO-UHFFFAOYSA-N
XLogP2.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055601
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119292222
4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide
CID 48952899
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
CID 49055281
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119944643
3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336537
3,5-dibromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103908065
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 97012787

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide (CID 49055697) is 3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide is O=C(Cn1cc(NC(=O)c2cccc(Br)c2)cn1)NC1CCCC1.
What is the InChIKey of 3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The InChIKey is SKEVXYBWXMJLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c18-13-5-3-4-12(8-13)17(24)21-15-9-19-22(10-15)11-16(23)20-14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,20,23)(H,21,24).
What are the key properties of 3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide has a molecular weight of 391.27 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 49055697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).