N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride

C20H23ClN4O2 — CID 119474454

IUPACN-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1
InChIInChI=1S/C20H22N4O2.ClH/c21-14-8-10-15(11-9-14)22-20(25)18-13-17(19-7-4-12-26-19)23-24(18)16-5-2-1-3-6-16;/h1-7,12-15H,8-11,21H2,(H,22,25);1H
InChIKeyLDZLJHZCVYAWAR-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.55
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride (PubChem CID 119474454) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride
PubChem CID119474454
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1
InChIInChI=1S/C20H22N4O2.ClH/c21-14-8-10-15(11-9-14)22-20(25)18-13-17(19-7-4-12-26-19)23-24(18)16-5-2-1-3-6-16;/h1-7,12-15H,8-11,21H2,(H,22,25);1H
InChIKeyLDZLJHZCVYAWAR-UHFFFAOYSA-N
XLogP3.55
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride (CID 119474454) is N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride?
The InChIKey is LDZLJHZCVYAWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c21-14-8-10-15(11-9-14)22-20(25)18-13-17(19-7-4-12-26-19)23-24(18)16-5-2-1-3-6-16;/h1-7,12-15H,8-11,21H2,(H,22,25);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119474454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).