N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide

C27H31N5O3 — CID 155566444

IUPACN-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C27H31N5O3/c28-25(33)24(15-19-7-3-1-4-8-19)31-27(35)21-13-11-20(12-14-21)16-29-26(34)22-17-30-32(18-22)23-9-5-2-6-10-23/h2,5-6,9-14,17-19,24H,1,3-4,7-8,15-16H2,(H2,28,33)(H,29,34)(H,31,35)/t24-/m0/s1
InChIKeyUAGHKMNUINSPPT-DEOSSOPVSA-N
MW473.58 g/mol
LogP3.36
Rot. Bonds9

About N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide

N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 155566444) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID155566444
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC NameN-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C27H31N5O3/c28-25(33)24(15-19-7-3-1-4-8-19)31-27(35)21-13-11-20(12-14-21)16-29-26(34)22-17-30-32(18-22)23-9-5-2-6-10-23/h2,5-6,9-14,17-19,24H,1,3-4,7-8,15-16H2,(H2,28,33)(H,29,34)(H,31,35)/t24-/m0/s1
InChIKeyUAGHKMNUINSPPT-DEOSSOPVSA-N
XLogP3.36
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 43340159
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N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 67555455
5-amino-N-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
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CID 17442772
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CID 78851836
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide (CID 155566444) is N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide is NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is UAGHKMNUINSPPT-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H31N5O3/c28-25(33)24(15-19-7-3-1-4-8-19)31-27(35)21-13-11-20(12-14-21)16-29-26(34)22-17-30-32(18-22)23-9-5-2-6-10-23/h2,5-6,9-14,17-19,24H,1,3-4,7-8,15-16H2,(H2,28,33)(H,29,34)(H,31,35)/t24-/m0/s1.
What are the key properties of N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155566444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).