N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C19H24N4O2 — CID 95289681

IUPACN-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)n[nH]1
InChIInChI=1S/C19H24N4O2/c1-12(2)15-11-17(23-22-15)19(25)21-16(18(24)20-14-8-9-14)10-13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)/t16-/m1/s1
InChIKeyOEWMYEURQZEGLO-MRXNPFEDSA-N
MW340.43 g/mol
LogP2.15
Rot. Bonds7

About N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 95289681) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID95289681
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)n[nH]1
InChIInChI=1S/C19H24N4O2/c1-12(2)15-11-17(23-22-15)19(25)21-16(18(24)20-14-8-9-14)10-13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)/t16-/m1/s1
InChIKeyOEWMYEURQZEGLO-MRXNPFEDSA-N
XLogP2.15
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 95767230
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CID 93140608
(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
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N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56787958
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CID 119388874
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
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CID 95286983
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide
CID 95302082
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
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 95289681) is N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)n[nH]1.
What is the InChIKey of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is OEWMYEURQZEGLO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)15-11-17(23-22-15)19(25)21-16(18(24)20-14-8-9-14)10-13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95289681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).