N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride

C15H21ClN4O — CID 120507987

IUPACN-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CCc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-12(9-16)18-15(20)8-7-13-10-17-19(11-13)14-5-3-2-4-6-14;/h2-6,10-12H,7-9,16H2,1H3,(H,18,20);1H/t12-;/m0./s1
InChIKeyCZQZHMHOGZPMHR-YDALLXLXSA-N
MW308.81 g/mol
LogP1.69
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride (PubChem CID 120507987) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
PubChem CID120507987
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CCc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-12(9-16)18-15(20)8-7-13-10-17-19(11-13)14-5-3-2-4-6-14;/h2-6,10-12H,7-9,16H2,1H3,(H,18,20);1H/t12-;/m0./s1
InChIKeyCZQZHMHOGZPMHR-YDALLXLXSA-N
XLogP1.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119212150
(2S)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]hexanoic acid
CID 120615364
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 18287238
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 18143612
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide
CID 34733192
methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 134015732
N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119581500
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 167759352
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55656277

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride (CID 120507987) is N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride is C[C@@H](CN)NC(=O)CCc1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride?
The InChIKey is CZQZHMHOGZPMHR-YDALLXLXSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-12(9-16)18-15(20)8-7-13-10-17-19(11-13)14-5-3-2-4-6-14;/h2-6,10-12H,7-9,16H2,1H3,(H,18,20);1H/t12-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120507987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).