4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen

C21H30N4O2 — CID 158915340

IUPAC4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen
SMILESCC(C)(C)C1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2)CC1.[H][H]
InChIInChI=1S/C21H28N4O2.H2/c1-21(2,3)15-9-11-16(12-10-15)23-20(27)18-17(13-22-25-18)24-19(26)14-7-5-4-6-8-14;/h4-8,13,15-16H,9-12H2,1-3H3,(H,22,25)(H,23,27)(H,24,26);1H
InChIKeyJHDUPVMLRMZOLW-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.24
Rot. Bonds4

About 4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen

4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen (PubChem CID 158915340) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen
PubChem CID158915340
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen
SMILESCC(C)(C)C1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2)CC1.[H][H]
InChIInChI=1S/C21H28N4O2.H2/c1-21(2,3)15-9-11-16(12-10-15)23-20(27)18-17(13-22-25-18)24-19(26)14-7-5-4-6-8-14;/h4-8,13,15-16H,9-12H2,1-3H3,(H,22,25)(H,23,27)(H,24,26);1H
InChIKeyJHDUPVMLRMZOLW-UHFFFAOYSA-N
XLogP4.24
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen?
The IUPAC name of 4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen (CID 158915340) is 4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen?
The canonical SMILES for 4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen is CC(C)(C)C1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2)CC1.[H][H].
What is the InChIKey of 4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen?
The InChIKey is JHDUPVMLRMZOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2.H2/c1-21(2,3)15-9-11-16(12-10-15)23-20(27)18-17(13-22-25-18)24-19(26)14-7-5-4-6-8-14;/h4-8,13,15-16H,9-12H2,1-3H3,(H,22,25)(H,23,27)(H,24,26);1H.
What are the key properties of 4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen?
4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen has a molecular weight of 370.50 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 158915340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).