N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine

C17H29N3 — CID 114546024

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCc2ccn(C3CCCCC3)n2)C1
InChIInChI=1S/C17H29N3/c1-17(2)10-8-14(12-17)18-13-15-9-11-20(19-15)16-6-4-3-5-7-16/h9,11,14,16,18H,3-8,10,12-13H2,1-2H3
InChIKeyMAEQTCCMOJHLJB-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.06
Rot. Bonds4

About N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine

N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 114546024) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID114546024
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCc2ccn(C3CCCCC3)n2)C1
InChIInChI=1S/C17H29N3/c1-17(2)10-8-14(12-17)18-13-15-9-11-20(19-15)16-6-4-3-5-7-16/h9,11,14,16,18H,3-8,10,12-13H2,1-2H3
InChIKeyMAEQTCCMOJHLJB-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 83032808
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359218
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358924
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine
CID 64799126
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114545880
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 114631935
1-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416497
1-cyclohexyl-3-ethylpyrazole
CID 66014335
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine
CID 64799368
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65025723

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 114546024) is N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(NCc2ccn(C3CCCCC3)n2)C1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is MAEQTCCMOJHLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(2)10-8-14(12-17)18-13-15-9-11-20(19-15)16-6-4-3-5-7-16/h9,11,14,16,18H,3-8,10,12-13H2,1-2H3.
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114546024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).