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

C14H23N3S — CID 83195968

IUPAC4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine
SMILESNC1CSCC1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H23N3S/c15-14-10-18-9-11(14)8-12-6-7-17(16-12)13-4-2-1-3-5-13/h6-7,11,13-14H,1-5,8-10,15H2
InChIKeyQRNLNJJJTJKAHZ-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.62
Rot. Bonds3

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

4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine (PubChem CID 83195968) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine
PubChem CID83195968
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine
SMILESNC1CSCC1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H23N3S/c15-14-10-18-9-11(14)8-12-6-7-17(16-12)13-4-2-1-3-5-13/h6-7,11,13-14H,1-5,8-10,15H2
InChIKeyQRNLNJJJTJKAHZ-UHFFFAOYSA-N
XLogP2.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.62
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]-N-methylthiolan-3-amine
CID 83196608
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
CID 64778454
[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81011678
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[(2-chloro-5-methylcyclohexyl)methyl]-1-cyclohexylpyrazole
CID 64778257
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 83261545
2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one
CID 64785748
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017300

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine?
The IUPAC name of 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine (CID 83195968) is 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine.
What is the SMILES notation for 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine?
The canonical SMILES for 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine is NC1CSCC1Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine?
The InChIKey is QRNLNJJJTJKAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c15-14-10-18-9-11(14)8-12-6-7-17(16-12)13-4-2-1-3-5-13/h6-7,11,13-14H,1-5,8-10,15H2.
What are the key properties of 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine?
4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine has a molecular weight of 265.43 g/mol, XLogP of 2.62, 3 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]thiolan-3-amine is sourced from PubChem (CID 83195968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).