1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea

C13H16N4O2 — CID 103853156

IUPAC1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea
SMILESCOc1cccc(NC(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C13H16N4O2/c1-9(10-7-14-15-8-10)16-13(18)17-11-4-3-5-12(6-11)19-2/h3-9H,1-2H3,(H,14,15)(H2,16,17,18)
InChIKeyVVVMMQCZQWEZCD-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.30
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea

1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea (PubChem CID 103853156) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea
PubChem CID103853156
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea
SMILESCOc1cccc(NC(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C13H16N4O2/c1-9(10-7-14-15-8-10)16-13(18)17-11-4-3-5-12(6-11)19-2/h3-9H,1-2H3,(H,14,15)(H2,16,17,18)
InChIKeyVVVMMQCZQWEZCD-UHFFFAOYSA-N
XLogP2.30
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 133204286
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide
CID 97244800
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea
CID 71908781
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966
5-hydroxy-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]benzoic acid
CID 106215657
1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea
CID 74387811
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea (CID 103853156) is 1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea is COc1cccc(NC(=O)NC(C)c2cn[nH]c2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea?
The InChIKey is VVVMMQCZQWEZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(10-7-14-15-8-10)16-13(18)17-11-4-3-5-12(6-11)19-2/h3-9H,1-2H3,(H,14,15)(H2,16,17,18).
What are the key properties of 1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea?
1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea has a molecular weight of 260.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 103853156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).