2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride

C12H23ClN4O — CID 119293160

IUPAC2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
SMILESCc1c(C(C)NC(=O)C(N)C(C)C)cnn1C.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-7(2)11(13)12(17)15-8(3)10-6-14-16(5)9(10)4;/h6-8,11H,13H2,1-5H3,(H,15,17);1H
InChIKeyHJGFDBGZEVHQCW-UHFFFAOYSA-N
MW274.80 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride

2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride (PubChem CID 119293160) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
PubChem CID119293160
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC Name2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
SMILESCc1c(C(C)NC(=O)C(N)C(C)C)cnn1C.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-7(2)11(13)12(17)15-8(3)10-6-14-16(5)9(10)4;/h6-8,11H,13H2,1-5H3,(H,15,17);1H
InChIKeyHJGFDBGZEVHQCW-UHFFFAOYSA-N
XLogP1.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
CID 43696292
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119293154
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381
5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide
CID 104683752
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 43696294
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119730438
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide
CID 29183103
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 47027951
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride (CID 119293160) is 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride is Cc1c(C(C)NC(=O)C(N)C(C)C)cnn1C.Cl.
What is the InChIKey of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride?
The InChIKey is HJGFDBGZEVHQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.ClH/c1-7(2)11(13)12(17)15-8(3)10-6-14-16(5)9(10)4;/h6-8,11H,13H2,1-5H3,(H,15,17);1H.
What are the key properties of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride?
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119293160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).