4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine

C16H26ClN3 — CID 65023954

IUPAC4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESClC1CCC(NCc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C16H26ClN3/c17-13-6-8-14(9-7-13)18-12-15-10-11-20(19-15)16-4-2-1-3-5-16/h10-11,13-14,16,18H,1-9,12H2
InChIKeyFATKFFVEVCYPTO-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.03
Rot. Bonds4

About 4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine

4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 65023954) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID65023954
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESClC1CCC(NCc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C16H26ClN3/c17-13-6-8-14(9-7-13)18-12-15-10-11-20(19-15)16-4-2-1-3-5-16/h10-11,13-14,16,18H,1-9,12H2
InChIKeyFATKFFVEVCYPTO-UHFFFAOYSA-N
XLogP4.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65025723
N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 107137702
N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114546024
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359218
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358924
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine
CID 64799368
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 114631935
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402598
N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine
CID 114899185

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine (CID 65023954) is 4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine is ClC1CCC(NCc2ccn(C3CCCCC3)n2)CC1.
What is the InChIKey of 4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is FATKFFVEVCYPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c17-13-6-8-14(9-7-13)18-12-15-10-11-20(19-15)16-4-2-1-3-5-16/h10-11,13-14,16,18H,1-9,12H2.
What are the key properties of 4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine?
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 295.86 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65023954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).