4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine

C17H23N3 — CID 47114367

IUPAC4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C17H23N3/c1-13-7-9-16(10-8-13)18-11-15-12-19-20-17(15)14-5-3-2-4-6-14/h2-6,12-13,16,18H,7-11H2,1H3,(H,19,20)
InChIKeySJLUBXFZMHUBMB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.74
Rot. Bonds4

About 4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine

4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 47114367) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID47114367
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C17H23N3/c1-13-7-9-16(10-8-13)18-11-15-12-19-20-17(15)14-5-3-2-4-6-14/h2-6,12-13,16,18H,7-11H2,1H3,(H,19,20)
InChIKeySJLUBXFZMHUBMB-UHFFFAOYSA-N
XLogP3.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 114544063
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115671480
4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509868
1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
CID 64655726
4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106184519
2-(4-methylpiperidin-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 119126724
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311
N-[[5-(2-bromophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485095
4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride
CID 56827879
3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43775484
N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 79490409
1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106253521

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine (CID 47114367) is 4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine is CC1CCC(NCc2cn[nH]c2-c2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is SJLUBXFZMHUBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-7-9-16(10-8-13)18-11-15-12-19-20-17(15)14-5-3-2-4-6-14/h2-6,12-13,16,18H,7-11H2,1H3,(H,19,20).
What are the key properties of 4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 47114367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).