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

C9H16N4O — CID 106212688

IUPAC3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(CN)C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C9H16N4O/c1-6(3-10)9(14)13-7(2)8-4-11-12-5-8/h4-7H,3,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyIVCLOPXTQWFKRN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.18
Rot. Bonds4

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

3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 106212688) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID106212688
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(CN)C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C9H16N4O/c1-6(3-10)9(14)13-7(2)8-4-11-12-5-8/h4-7H,3,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyIVCLOPXTQWFKRN-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212884
5-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212676
3-chloro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106211094
2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 103857035
3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 81356180
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81409558
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106213470
(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 81363654

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 106212688) is 3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is CC(CN)C(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is IVCLOPXTQWFKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(3-10)9(14)13-7(2)8-4-11-12-5-8/h4-7H,3,10H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 196.25 g/mol, XLogP of 0.18, 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-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 106212688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).