N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide

C17H20N4O2 — CID 95767230

IUPACN-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C17H20N4O2/c1-11-14(10-18-21-11)16(22)20-15(17(23)19-13-7-8-13)9-12-5-3-2-4-6-12/h2-6,10,13,15H,7-9H2,1H3,(H,18,21)(H,19,23)(H,20,22)/t15-/m0/s1
InChIKeyNVFXBKXTKKERBP-HNNXBMFYSA-N
MW312.37 g/mol
LogP1.34
Rot. Bonds6

About N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 95767230) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID95767230
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C17H20N4O2/c1-11-14(10-18-21-11)16(22)20-15(17(23)19-13-7-8-13)9-12-5-3-2-4-6-12/h2-6,10,13,15H,7-9H2,1H3,(H,18,21)(H,19,23)(H,20,22)/t15-/m0/s1
InChIKeyNVFXBKXTKKERBP-HNNXBMFYSA-N
XLogP1.34
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide
CID 95302082
(2S)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-4-phenylbutanoic acid
CID 104983134
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95289681
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 95286983
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 166180453
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 166195024
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 78810004
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93140608

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide (CID 95767230) is N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is NVFXBKXTKKERBP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-14(10-18-21-11)16(22)20-15(17(23)19-13-7-8-13)9-12-5-3-2-4-6-12/h2-6,10,13,15H,7-9H2,1H3,(H,18,21)(H,19,23)(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95767230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).