1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea

C14H18N4OS — CID 71808644

IUPAC1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCn1nc(CNC(=O)NCc2cccs2)cc1C1CC1
InChIInChI=1S/C14H18N4OS/c1-18-13(10-4-5-10)7-11(17-18)8-15-14(19)16-9-12-3-2-6-20-12/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,15,16,19)
InChIKeyIIAGJAPVOGXNBE-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.36
Rot. Bonds5

About 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea

1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71808644) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71808644
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCn1nc(CNC(=O)NCc2cccs2)cc1C1CC1
InChIInChI=1S/C14H18N4OS/c1-18-13(10-4-5-10)7-11(17-18)8-15-14(19)16-9-12-3-2-6-20-12/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,15,16,19)
InChIKeyIIAGJAPVOGXNBE-UHFFFAOYSA-N
XLogP2.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea (CID 71808644) is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea is Cn1nc(CNC(=O)NCc2cccs2)cc1C1CC1.
What is the InChIKey of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is IIAGJAPVOGXNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-18-13(10-4-5-10)7-11(17-18)8-15-14(19)16-9-12-3-2-6-20-12/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,15,16,19).
What are the key properties of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71808644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).