1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea

C18H26N4O2 — CID 60546577

IUPAC1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC(C)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C18H26N4O2/c1-13-11-15(3)22(21-13)12-14(2)20-18(23)19-10-9-16-5-7-17(24-4)8-6-16/h5-8,11,14H,9-10,12H2,1-4H3,(H2,19,20,23)
InChIKeyPUYHPXANNNJNSF-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.44
Rot. Bonds7

About 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea

1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 60546577) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID60546577
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC(C)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C18H26N4O2/c1-13-11-15(3)22(21-13)12-14(2)20-18(23)19-10-9-16-5-7-17(24-4)8-6-16/h5-8,11,14H,9-10,12H2,1-4H3,(H2,19,20,23)
InChIKeyPUYHPXANNNJNSF-UHFFFAOYSA-N
XLogP2.44
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60577862
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 97443871
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90495552
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100584519
methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
CID 43538173
2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 3724243
1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027
1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 71802122
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 121169901
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide
CID 70757967

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 60546577) is 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC(C)Cn2nc(C)cc2C)cc1.
What is the InChIKey of 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is PUYHPXANNNJNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-11-15(3)22(21-13)12-14(2)20-18(23)19-10-9-16-5-7-17(24-4)8-6-16/h5-8,11,14H,9-10,12H2,1-4H3,(H2,19,20,23).
What are the key properties of 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 330.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 60546577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).