1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide

C15H24N4S — CID 64801483

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide
SMILESNC(=S)C1CCCN(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C15H24N4S/c16-15(20)12-4-3-8-18(10-12)11-13-7-9-19(17-13)14-5-1-2-6-14/h7,9,12,14H,1-6,8,10-11H2,(H2,16,20)
InChIKeyUDCOPEHVQHNVJV-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.50
Rot. Bonds4

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide

1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide (PubChem CID 64801483) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide
PubChem CID64801483
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide
SMILESNC(=S)C1CCCN(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C15H24N4S/c16-15(20)12-4-3-8-18(10-12)11-13-7-9-19(17-13)14-5-1-2-6-14/h7,9,12,14H,1-6,8,10-11H2,(H2,16,20)
InChIKeyUDCOPEHVQHNVJV-UHFFFAOYSA-N
XLogP2.50
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 64785777
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-4-carboximidamide
CID 64783767
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64777495
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64801952
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79868446
3-[[3-(chloromethyl)pyrrolidin-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779907
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 64833588
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide (CID 64801483) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide is NC(=S)C1CCCN(Cc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide?
The InChIKey is UDCOPEHVQHNVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c16-15(20)12-4-3-8-18(10-12)11-13-7-9-19(17-13)14-5-1-2-6-14/h7,9,12,14H,1-6,8,10-11H2,(H2,16,20).
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide?
1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide has a molecular weight of 292.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide is sourced from PubChem (CID 64801483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).