4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride

C16H21Cl2N3O — CID 56827879

IUPAC4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride
SMILESCl.OC1CCC(NCc2cn[nH]c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClN3O.ClH/c17-13-3-1-11(2-4-13)16-12(10-19-20-16)9-18-14-5-7-15(21)8-6-14;/h1-4,10,14-15,18,21H,5-9H2,(H,19,20);1H
InChIKeyIPKQMSAZUUCSQR-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.55
Rot. Bonds4

About 4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride

4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride (PubChem CID 56827879) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride
PubChem CID56827879
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride
SMILESCl.OC1CCC(NCc2cn[nH]c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClN3O.ClH/c17-13-3-1-11(2-4-13)16-12(10-19-20-16)9-18-14-5-7-15(21)8-6-14;/h1-4,10,14-15,18,21H,5-9H2,(H,19,20);1H
InChIKeyIPKQMSAZUUCSQR-UHFFFAOYSA-N
XLogP3.55
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509868
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 47114367
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43663529
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40592688
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99953823
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
CID 53444369
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 114544063
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 4538755
(6R)-4-acetyl-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-6-hydroxy-1,4-diazepane-1-carboxamide
CID 126450778
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115671480
N-[[5-(2-bromophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485095

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride (CID 56827879) is 4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride is Cl.OC1CCC(NCc2cn[nH]c2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride?
The InChIKey is IPKQMSAZUUCSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O.ClH/c17-13-3-1-11(2-4-13)16-12(10-19-20-16)9-18-14-5-7-15(21)8-6-14;/h1-4,10,14-15,18,21H,5-9H2,(H,19,20);1H.
What are the key properties of 4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride?
4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride has a molecular weight of 342.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 56827879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).