2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide

C17H19ClN4O2 — CID 87026477

IUPAC2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide
SMILESCn1cc(CCC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cn1
InChIInChI=1S/C17H19ClN4O2/c1-22-10-11(9-19-22)2-7-16(23)20-13-5-6-15(18)14(8-13)17(24)21-12-3-4-12/h5-6,8-10,12H,2-4,7H2,1H3,(H,20,23)(H,21,24)
InChIKeyYHDOOYPWCYOILK-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.54
Rot. Bonds6

About 2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide

2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide (PubChem CID 87026477) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide
PubChem CID87026477
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide
SMILESCn1cc(CCC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cn1
InChIInChI=1S/C17H19ClN4O2/c1-22-10-11(9-19-22)2-7-16(23)20-13-5-6-15(18)14(8-13)17(24)21-12-3-4-12/h5-6,8-10,12H,2-4,7H2,1H3,(H,20,23)(H,21,24)
InChIKeyYHDOOYPWCYOILK-UHFFFAOYSA-N
XLogP2.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide
CID 87026452
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 55805084
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide
CID 87026412
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 60527071
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide (CID 87026477) is 2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide is Cn1cc(CCC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cn1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide?
The InChIKey is YHDOOYPWCYOILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-22-10-11(9-19-22)2-7-16(23)20-13-5-6-15(18)14(8-13)17(24)21-12-3-4-12/h5-6,8-10,12H,2-4,7H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide?
2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide has a molecular weight of 346.82 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide is sourced from PubChem (CID 87026477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).