4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine

C16H20ClN3 — CID 90754133

IUPAC4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine
SMILESClc1ccc(-c2cn[nH]c2NCC2CCCCC2)cc1
InChIInChI=1S/C16H20ClN3/c17-14-8-6-13(7-9-14)15-11-19-20-16(15)18-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,18,19,20)
InChIKeyURWFACJPVCNFST-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.72
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine

4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine (PubChem CID 90754133) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine
PubChem CID90754133
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine
SMILESClc1ccc(-c2cn[nH]c2NCC2CCCCC2)cc1
InChIInChI=1S/C16H20ClN3/c17-14-8-6-13(7-9-14)15-11-19-20-16(15)18-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,18,19,20)
InChIKeyURWFACJPVCNFST-UHFFFAOYSA-N
XLogP4.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine (CID 90754133) is 4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine is Clc1ccc(-c2cn[nH]c2NCC2CCCCC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine?
The InChIKey is URWFACJPVCNFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-14-8-6-13(7-9-14)15-11-19-20-16(15)18-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,18,19,20).
What are the key properties of 4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine?
4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine has a molecular weight of 289.81 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(cyclohexylmethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 90754133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).