3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide

C13H16N4O — CID 62668887

IUPAC3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
SMILESCC(CN)C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H16N4O/c1-9(8-14)13(18)16-11-4-2-10(3-5-11)12-6-7-15-17-12/h2-7,9H,8,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyCKKMWWRFNIGANF-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.61
Rot. Bonds4

About 3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide

3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide (PubChem CID 62668887) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
PubChem CID62668887
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
SMILESCC(CN)C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H16N4O/c1-9(8-14)13(18)16-11-4-2-10(3-5-11)12-6-7-15-17-12/h2-7,9H,8,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyCKKMWWRFNIGANF-UHFFFAOYSA-N
XLogP1.61
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 61179187
(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride
CID 119399823
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
CID 62668929
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
CID 62669470
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
CID 47174001
2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 43711252
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
CID 62671203

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide (CID 62668887) is 3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide is CC(CN)C(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
The InChIKey is CKKMWWRFNIGANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(8-14)13(18)16-11-4-2-10(3-5-11)12-6-7-15-17-12/h2-7,9H,8,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 62668887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).