3-amino-N-(2-ethylpyrazol-3-yl)butanamide

C9H16N4O — CID 130878664

IUPAC3-amino-N-(2-ethylpyrazol-3-yl)butanamide
SMILESCCn1nccc1NC(=O)CC(C)N
InChIInChI=1S/C9H16N4O/c1-3-13-8(4-5-11-13)12-9(14)6-7(2)10/h4-5,7H,3,6,10H2,1-2H3,(H,12,14)
InChIKeyFSDCCUDYDCOUBC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.58
Rot. Bonds4

About 3-amino-N-(2-ethylpyrazol-3-yl)butanamide

3-amino-N-(2-ethylpyrazol-3-yl)butanamide (PubChem CID 130878664) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-N-(2-ethylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylpyrazol-3-yl)butanamide
PubChem CID130878664
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-N-(2-ethylpyrazol-3-yl)butanamide
SMILESCCn1nccc1NC(=O)CC(C)N
InChIInChI=1S/C9H16N4O/c1-3-13-8(4-5-11-13)12-9(14)6-7(2)10/h4-5,7H,3,6,10H2,1-2H3,(H,12,14)
InChIKeyFSDCCUDYDCOUBC-UHFFFAOYSA-N
XLogP0.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

N-(2-ethylpyrazol-3-yl)propanamide
CID 59069155
N'-(2-ethylpyrazol-3-yl)oxamide
CID 130652356
N-(2-ethylpyrazol-3-yl)prop-2-ynamide
CID 130680138
4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide
CID 120559913
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide
CID 9168666
ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate
CID 114556106
4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 70919702
4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559352
3-amino-N-pyridazin-3-ylbutanamide
CID 126973262
2-ethyl-N-propan-2-ylpyrazol-3-amine;2-ethylpyrazol-3-amine;2-methylpropane
CID 159006628

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylpyrazol-3-yl)butanamide?
The IUPAC name of 3-amino-N-(2-ethylpyrazol-3-yl)butanamide (CID 130878664) is 3-amino-N-(2-ethylpyrazol-3-yl)butanamide.
What is the SMILES notation for 3-amino-N-(2-ethylpyrazol-3-yl)butanamide?
The canonical SMILES for 3-amino-N-(2-ethylpyrazol-3-yl)butanamide is CCn1nccc1NC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-(2-ethylpyrazol-3-yl)butanamide?
The InChIKey is FSDCCUDYDCOUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-13-8(4-5-11-13)12-9(14)6-7(2)10/h4-5,7H,3,6,10H2,1-2H3,(H,12,14).
What are the key properties of 3-amino-N-(2-ethylpyrazol-3-yl)butanamide?
3-amino-N-(2-ethylpyrazol-3-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylpyrazol-3-yl)butanamide is sourced from PubChem (CID 130878664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).