1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea

C12H14N4O2 — CID 47034421

IUPAC1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccn[nH]2)cc1
InChIInChI=1S/C12H14N4O2/c1-18-11-4-2-9(3-5-11)15-12(17)13-8-10-6-7-14-16-10/h2-7H,8H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyVGUIPVUVRDETAK-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.74
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea

1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 47034421) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID47034421
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccn[nH]2)cc1
InChIInChI=1S/C12H14N4O2/c1-18-11-4-2-9(3-5-11)15-12(17)13-8-10-6-7-14-16-10/h2-7H,8H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyVGUIPVUVRDETAK-UHFFFAOYSA-N
XLogP1.74
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea (CID 47034421) is 1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea is COc1ccc(NC(=O)NCc2ccn[nH]2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is VGUIPVUVRDETAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-11-4-2-9(3-5-11)15-12(17)13-8-10-6-7-14-16-10/h2-7H,8H2,1H3,(H,14,16)(H2,13,15,17).
What are the key properties of 1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea?
1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 246.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 47034421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).