N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride

C16H21ClN4O — CID 120505954

IUPACN-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1cnn(-c2ccccc2)c1C1CC1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-11(9-17)19-16(21)14-10-18-20(15(14)12-7-8-12)13-5-3-2-4-6-13;/h2-6,10-12H,7-9,17H2,1H3,(H,19,21);1H/t11-;/m0./s1
InChIKeyNRSREHUVQXVDGO-MERQFXBCSA-N
MW320.82 g/mol
LogP2.25
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 120505954) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID120505954
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1cnn(-c2ccccc2)c1C1CC1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-11(9-17)19-16(21)14-10-18-20(15(14)12-7-8-12)13-5-3-2-4-6-13;/h2-6,10-12H,7-9,17H2,1H3,(H,19,21);1H/t11-;/m0./s1
InChIKeyNRSREHUVQXVDGO-MERQFXBCSA-N
XLogP2.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42949053
N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119498276
3-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]butanoic acid
CID 119220762
5-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)-1-phenylpyrazole-4-carboxamide
CID 139012188
5-cyclopropyl-1-phenyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 112827858
N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477727
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 120506558
5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 14118804
N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide
CID 119655718
5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 99817467
5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119463223
3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 166271063

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 120505954) is N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride is C[C@@H](CN)NC(=O)c1cnn(-c2ccccc2)c1C1CC1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is NRSREHUVQXVDGO-MERQFXBCSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c1-11(9-17)19-16(21)14-10-18-20(15(14)12-7-8-12)13-5-3-2-4-6-13;/h2-6,10-12H,7-9,17H2,1H3,(H,19,21);1H/t11-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.25, 5 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]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120505954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).