N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide

C16H22N4O — CID 62903618

IUPACN-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C16H22N4O/c1-4-9-17-15-8-6-5-7-14(15)16(21)19-13-10-18-20(11-13)12(2)3/h5-8,10-12,17H,4,9H2,1-3H3,(H,19,21)
InChIKeyWFSMVLHQIRDKKY-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.54
Rot. Bonds6

About N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide

N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide (PubChem CID 62903618) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide
PubChem CID62903618
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C16H22N4O/c1-4-9-17-15-8-6-5-7-14(15)16(21)19-13-10-18-20(11-13)12(2)3/h5-8,10-12,17H,4,9H2,1-3H3,(H,19,21)
InChIKeyWFSMVLHQIRDKKY-UHFFFAOYSA-N
XLogP3.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propan-2-ylpyrazol-4-yl)-6-(propylamino)pyridine-3-carboxamide
CID 62903269
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242
2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine
CID 62904622
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
2,4-diamino-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 62902803
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide
CID 62174910
N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 62904126
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 102705527
2-fluoro-N-(1-propan-2-ylpyrazol-4-yl)-5-sulfanylbenzamide
CID 107028830

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide?
The IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide (CID 62903618) is N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide?
The canonical SMILES for N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide?
The InChIKey is WFSMVLHQIRDKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-9-17-15-8-6-5-7-14(15)16(21)19-13-10-18-20(11-13)12(2)3/h5-8,10-12,17H,4,9H2,1-3H3,(H,19,21).
What are the key properties of N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide?
N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide has a molecular weight of 286.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazol-4-yl)-2-(propylamino)benzamide is sourced from PubChem (CID 62903618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).