3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide

C9H16N4O — CID 54592691

IUPAC3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide
SMILESCc1n[nH]c(C)c1NC(=O)C(C)CN
InChIInChI=1S/C9H16N4O/c1-5(4-10)9(14)11-8-6(2)12-13-7(8)3/h5H,4,10H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyRMSZKQRQTBREEZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.56
Rot. Bonds3

About 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide

3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide (PubChem CID 54592691) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide
PubChem CID54592691
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide
SMILESCc1n[nH]c(C)c1NC(=O)C(C)CN
InChIInChI=1S/C9H16N4O/c1-5(4-10)9(14)11-8-6(2)12-13-7(8)3/h5H,4,10H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyRMSZKQRQTBREEZ-UHFFFAOYSA-N
XLogP0.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide (CID 54592691) is 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide is Cc1n[nH]c(C)c1NC(=O)C(C)CN.
What is the InChIKey of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide?
The InChIKey is RMSZKQRQTBREEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-5(4-10)9(14)11-8-6(2)12-13-7(8)3/h5H,4,10H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide?
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide has a molecular weight of 196.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide is sourced from PubChem (CID 54592691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).