N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride

C19H25ClN4O — CID 119477727

IUPACN-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1
InChIInChI=1S/C19H24N4O.ClH/c20-14-8-10-15(11-9-14)22-19(24)17-12-21-23(18(17)13-6-7-13)16-4-2-1-3-5-16;/h1-5,12-15H,6-11,20H2,(H,22,24);1H
InChIKeyBDACYVBORVHQTB-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.17
Rot. Bonds4

About N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119477727) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID119477727
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1
InChIInChI=1S/C19H24N4O.ClH/c20-14-8-10-15(11-9-14)22-19(24)17-12-21-23(18(17)13-6-7-13)16-4-2-1-3-5-16;/h1-5,12-15H,6-11,20H2,(H,22,24);1H
InChIKeyBDACYVBORVHQTB-UHFFFAOYSA-N
XLogP3.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 119477727) is N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is BDACYVBORVHQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c20-14-8-10-15(11-9-14)22-19(24)17-12-21-23(18(17)13-6-7-13)16-4-2-1-3-5-16;/h1-5,12-15H,6-11,20H2,(H,22,24);1H.
What are the key properties of N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119477727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).