3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride

C14H27ClN4O — CID 120501674

IUPAC3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C14H26N4O.ClH/c1-8(16-14(19)9(2)10(3)15)7-13-11(4)17-18(6)12(13)5;/h8-10H,7,15H2,1-6H3,(H,16,19);1H
InChIKeyVZVLSNAPOZTWJQ-UHFFFAOYSA-N
MW302.85 g/mol
LogP1.49
Rot. Bonds5

About 3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride

3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride (PubChem CID 120501674) has the molecular formula C14H27ClN4O and a molecular weight of 302.85 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride
PubChem CID120501674
Molecular FormulaC14H27ClN4O
Molecular Weight302.85 g/mol
Exact Mass302.19
IUPAC Name3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C14H26N4O.ClH/c1-8(16-14(19)9(2)10(3)15)7-13-11(4)17-18(6)12(13)5;/h8-10H,7,15H2,1-6H3,(H,16,19);1H
InChIKeyVZVLSNAPOZTWJQ-UHFFFAOYSA-N
XLogP1.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride
CID 119805230
4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
CID 119138224
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122146158
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
methyl 3,3-dimethyl-4-oxo-4-[[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]amino]butanoate
CID 124736201
1-ethyl-1-(2-methylprop-2-enyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 84585210
(2S)-2-(hydroxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 111508000
(2R)-2-(hydroxymethyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 95967699
1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 111508005
1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97048821

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride (CID 120501674) is 3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride is Cc1nn(C)c(C)c1CC(C)NC(=O)C(C)C(C)N.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride?
The InChIKey is VZVLSNAPOZTWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.ClH/c1-8(16-14(19)9(2)10(3)15)7-13-11(4)17-18(6)12(13)5;/h8-10H,7,15H2,1-6H3,(H,16,19);1H.
What are the key properties of 3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride?
3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 120501674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).