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

C15H25N3S — CID 83196608

IUPAC4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine
SMILESCNC1CSCC1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H25N3S/c1-16-15-11-19-10-12(15)9-13-7-8-18(17-13)14-5-3-2-4-6-14/h7-8,12,14-16H,2-6,9-11H2,1H3
InChIKeyNEJNKSYTYHQUJS-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.88
Rot. Bonds4

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

4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine (PubChem CID 83196608) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound Name4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine
PubChem CID83196608
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine
SMILESCNC1CSCC1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H25N3S/c1-16-15-11-19-10-12(15)9-13-7-8-18(17-13)14-5-3-2-4-6-14/h7-8,12,14-16H,2-6,9-11H2,1H3
InChIKeyNEJNKSYTYHQUJS-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol
CID 83190390
4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine
CID 83195968
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
CID 64778454
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[(2-chloro-5-methylcyclohexyl)methyl]-1-cyclohexylpyrazole
CID 64778257
N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017300
1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499152
3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64910526
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81011678
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine?
The IUPAC name of 4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine (CID 83196608) is 4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for 4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine?
The canonical SMILES for 4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine is CNC1CSCC1Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine?
The InChIKey is NEJNKSYTYHQUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-16-15-11-19-10-12(15)9-13-7-8-18(17-13)14-5-3-2-4-6-14/h7-8,12,14-16H,2-6,9-11H2,1H3.
What are the key properties of 4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine?
4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine has a molecular weight of 279.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 83196608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).