3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide

C9H16N4O — CID 115885206

IUPAC3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide
SMILESCC(C)Nc1ccn(CCC(N)=O)n1
InChIInChI=1S/C9H16N4O/c1-7(2)11-9-4-6-13(12-9)5-3-8(10)14/h4,6-7H,3,5H2,1-2H3,(H2,10,14)(H,11,12)
InChIKeyDWXJWIYKTVPQPI-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.58
Rot. Bonds5

About 3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide

3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide (PubChem CID 115885206) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide
PubChem CID115885206
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide
SMILESCC(C)Nc1ccn(CCC(N)=O)n1
InChIInChI=1S/C9H16N4O/c1-7(2)11-9-4-6-13(12-9)5-3-8(10)14/h4,6-7H,3,5H2,1-2H3,(H2,10,14)(H,11,12)
InChIKeyDWXJWIYKTVPQPI-UHFFFAOYSA-N
XLogP0.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide
CID 125141654
1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
CID 115921806
3-(3-ethylpyrazol-1-yl)propanamide
CID 142785643
(2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide
CID 119328467
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide
CID 71914470
3-[3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]propanamide
CID 71847996
3-[3-(carbamothioylamino)pyrazol-1-yl]propanoic acid
CID 86610341
3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide
CID 99696910
3-[3-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide
CID 99696909
3-(3-phenylpyrazol-1-yl)propanamide
CID 19835817
3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide
CID 75393027

Frequently Asked Questions

What is the IUPAC name of 3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide (CID 115885206) is 3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide is CC(C)Nc1ccn(CCC(N)=O)n1.
What is the InChIKey of 3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide?
The InChIKey is DWXJWIYKTVPQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)11-9-4-6-13(12-9)5-3-8(10)14/h4,6-7H,3,5H2,1-2H3,(H2,10,14)(H,11,12).
What are the key properties of 3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide?
3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide has a molecular weight of 196.25 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide is sourced from PubChem (CID 115885206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).