N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide

C16H22N4O — CID 86802727

IUPACN-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
SMILESCC(C)CNC(=O)C(C)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-12(2)9-17-16(21)13(3)19-14-10-18-20(11-14)15-7-5-4-6-8-15/h4-8,10-13,19H,9H2,1-3H3,(H,17,21)
InChIKeyWCDLUMASBVLIIO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.44
Rot. Bonds6

About N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide

N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide (PubChem CID 86802727) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
PubChem CID86802727
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
SMILESCC(C)CNC(=O)C(C)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-12(2)9-17-16(21)13(3)19-14-10-18-20(11-14)15-7-5-4-6-8-15/h4-8,10-13,19H,9H2,1-3H3,(H,17,21)
InChIKeyWCDLUMASBVLIIO-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-bromophenyl)pyrazol-4-yl]amino]-N-prop-2-ynylpropanamide
CID 86802645
N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
CID 86802633
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide
CID 82539547
3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid
CID 126840528
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide
CID 99856728
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
CID 18152383
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 102552852
(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100819736

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide?
The IUPAC name of N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide (CID 86802727) is N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide is CC(C)CNC(=O)C(C)Nc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide?
The InChIKey is WCDLUMASBVLIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)9-17-16(21)13(3)19-14-10-18-20(11-14)15-7-5-4-6-8-15/h4-8,10-13,19H,9H2,1-3H3,(H,17,21).
What are the key properties of N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide?
N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide is sourced from PubChem (CID 86802727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).