1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea

C14H20N4OS — CID 19469291

IUPAC1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
SMILESCCn1ncc(C(C)NC(=S)NCc2ccco2)c1C
InChIInChI=1S/C14H20N4OS/c1-4-18-11(3)13(9-16-18)10(2)17-14(20)15-8-12-6-5-7-19-12/h5-7,9-10H,4,8H2,1-3H3,(H2,15,17,20)
InChIKeyQTQRHIGCSBYQLN-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.53
Rot. Bonds5

About 1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea

1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea (PubChem CID 19469291) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
PubChem CID19469291
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
SMILESCCn1ncc(C(C)NC(=S)NCc2ccco2)c1C
InChIInChI=1S/C14H20N4OS/c1-4-18-11(3)13(9-16-18)10(2)17-14(20)15-8-12-6-5-7-19-12/h5-7,9-10H,4,8H2,1-3H3,(H2,15,17,20)
InChIKeyQTQRHIGCSBYQLN-UHFFFAOYSA-N
XLogP2.53
TPSA55.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 7944842
1-(3,3-dimethylbutan-2-yl)-3-(furan-2-ylmethyl)thiourea
CID 17277646
1-(4-butan-2-ylphenyl)-3-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiourea
CID 17298310
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 27511459
1-(furan-2-ylmethyl)-3-[3-(5-methylpyrazol-1-yl)propyl]thiourea
CID 4768423
1-(3-chloro-4-fluorophenyl)-3-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiourea
CID 19469299
1-(furan-2-ylmethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 17282055
1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 19583437
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
1-butyl-3-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]urea
CID 17267001
1-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea
CID 19571998

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea (CID 19469291) is 1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea is CCn1ncc(C(C)NC(=S)NCc2ccco2)c1C.
What is the InChIKey of 1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea?
The InChIKey is QTQRHIGCSBYQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-4-18-11(3)13(9-16-18)10(2)17-14(20)15-8-12-6-5-7-19-12/h5-7,9-10H,4,8H2,1-3H3,(H2,15,17,20).
What are the key properties of 1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea?
1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea has a molecular weight of 292.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 19469291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).