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

C9H16N4O — CID 110460201

IUPAC3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1n[nH]c(C)c1CNC(=O)CCN
InChIInChI=1S/C9H16N4O/c1-6-8(7(2)13-12-6)5-11-9(14)3-4-10/h3-5,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyZVBZXMROEXUWGJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.01
Rot. Bonds4

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

3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 110460201) 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)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID110460201
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1n[nH]c(C)c1CNC(=O)CCN
InChIInChI=1S/C9H16N4O/c1-6-8(7(2)13-12-6)5-11-9(14)3-4-10/h3-5,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyZVBZXMROEXUWGJ-UHFFFAOYSA-N
XLogP-0.01
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110731059
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110444644
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide
CID 119059483
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 112528463
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 43644720
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea
CID 83109596
2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 110451145
4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]methyl]benzoic acid
CID 84613407
N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685526
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 12978503
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 166207351

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide (CID 110460201) is 3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide is Cc1n[nH]c(C)c1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is ZVBZXMROEXUWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-8(7(2)13-12-6)5-11-9(14)3-4-10/h3-5,10H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide?
3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 196.25 g/mol, XLogP of -0.01, 4 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)methyl]propanamide is sourced from PubChem (CID 110460201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).