N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide

C20H26N4O2 — CID 71894247

IUPACN-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide
SMILESCCNC(=O)C1(NC(=O)Cc2cnn(-c3ccccc3)c2)CCCCC1
InChIInChI=1S/C20H26N4O2/c1-2-21-19(26)20(11-7-4-8-12-20)23-18(25)13-16-14-22-24(15-16)17-9-5-3-6-10-17/h3,5-6,9-10,14-15H,2,4,7-8,11-13H2,1H3,(H,21,26)(H,23,25)
InChIKeyIZZGFABDOOGXBB-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.37
Rot. Bonds6

About N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide

N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 71894247) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID71894247
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide
SMILESCCNC(=O)C1(NC(=O)Cc2cnn(-c3ccccc3)c2)CCCCC1
InChIInChI=1S/C20H26N4O2/c1-2-21-19(26)20(11-7-4-8-12-20)23-18(25)13-16-14-22-24(15-16)17-9-5-3-6-10-17/h3,5-6,9-10,14-15H,2,4,7-8,11-13H2,1H3,(H,21,26)(H,23,25)
InChIKeyIZZGFABDOOGXBB-UHFFFAOYSA-N
XLogP2.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 119699538
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
CID 18152383
(2S)-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 120615170
methyl 4-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 18152301
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide (CID 71894247) is N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide is CCNC(=O)C1(NC(=O)Cc2cnn(-c3ccccc3)c2)CCCCC1.
What is the InChIKey of N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is IZZGFABDOOGXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-21-19(26)20(11-7-4-8-12-20)23-18(25)13-16-14-22-24(15-16)17-9-5-3-6-10-17/h3,5-6,9-10,14-15H,2,4,7-8,11-13H2,1H3,(H,21,26)(H,23,25).
What are the key properties of N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide?
N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 71894247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).