1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea

C15H14N4OS — CID 934801

IUPAC1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
SMILESS=C(NCc1ccco1)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C15H14N4OS/c21-15(16-10-12-7-4-8-20-12)17-14-9-13(18-19-14)11-5-2-1-3-6-11/h1-9H,10H2,(H3,16,17,18,19,21)
InChIKeyAWSYWWWOJKUKAR-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.16
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea

1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea (PubChem CID 934801) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
PubChem CID934801
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
SMILESS=C(NCc1ccco1)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C15H14N4OS/c21-15(16-10-12-7-4-8-20-12)17-14-9-13(18-19-14)11-5-2-1-3-6-11/h1-9H,10H2,(H3,16,17,18,19,21)
InChIKeyAWSYWWWOJKUKAR-UHFFFAOYSA-N
XLogP3.16
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea (CID 934801) is 1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea is S=C(NCc1ccco1)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea?
The InChIKey is AWSYWWWOJKUKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c21-15(16-10-12-7-4-8-20-12)17-14-9-13(18-19-14)11-5-2-1-3-6-11/h1-9H,10H2,(H3,16,17,18,19,21).
What are the key properties of 1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea?
1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea has a molecular weight of 298.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea is sourced from PubChem (CID 934801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).