1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea

C11H18N4S — CID 106217389

IUPAC1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea
SMILESCC(NC(=S)NC1CCCC1)c1cn[nH]c1
InChIInChI=1S/C11H18N4S/c1-8(9-6-12-13-7-9)14-11(16)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,12,13)(H2,14,15,16)
InChIKeyBNRQVGGHKRDELZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.88
Rot. Bonds3

About 1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea

1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea (PubChem CID 106217389) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea
PubChem CID106217389
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea
SMILESCC(NC(=S)NC1CCCC1)c1cn[nH]c1
InChIInChI=1S/C11H18N4S/c1-8(9-6-12-13-7-9)14-11(16)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,12,13)(H2,14,15,16)
InChIKeyBNRQVGGHKRDELZ-UHFFFAOYSA-N
XLogP1.88
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(1-phenylethyl)thiourea
CID 2788079
1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea
CID 724020
1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675012
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106215558
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 103856925
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 106212913
1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea
CID 19675096
3-(cyclopropylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212808
4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114159493
3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103922095
3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905316

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea (CID 106217389) is 1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea is CC(NC(=S)NC1CCCC1)c1cn[nH]c1.
What is the InChIKey of 1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea?
The InChIKey is BNRQVGGHKRDELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8(9-6-12-13-7-9)14-11(16)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,12,13)(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea?
1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea has a molecular weight of 238.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea is sourced from PubChem (CID 106217389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).