1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea

C14H17ClN4O — CID 17378582

IUPAC1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea
SMILESCCn1ncc(CNC(=O)Nc2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H17ClN4O/c1-3-19-10(2)11(9-17-19)8-16-14(20)18-13-6-4-12(15)5-7-13/h4-7,9H,3,8H2,1-2H3,(H2,16,18,20)
InChIKeyDYYKINNPSPGGLP-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.19
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea

1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea (PubChem CID 17378582) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea
PubChem CID17378582
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea
SMILESCCn1ncc(CNC(=O)Nc2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H17ClN4O/c1-3-19-10(2)11(9-17-19)8-16-14(20)18-13-6-4-12(15)5-7-13/h4-7,9H,3,8H2,1-2H3,(H2,16,18,20)
InChIKeyDYYKINNPSPGGLP-UHFFFAOYSA-N
XLogP3.19
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290546
2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290508
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea
CID 19325050
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-ethylphenyl)thiourea
CID 19325073
1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
CID 90538547
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]thiourea
CID 19325091
1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 106049514
1-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-3-(4-methylphenyl)urea
CID 20928382
1-(4-chlorophenyl)-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
CID 110416084
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea (CID 17378582) is 1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea is CCn1ncc(CNC(=O)Nc2ccc(Cl)cc2)c1C.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea?
The InChIKey is DYYKINNPSPGGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-19-10(2)11(9-17-19)8-16-14(20)18-13-6-4-12(15)5-7-13/h4-7,9H,3,8H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea?
1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea has a molecular weight of 292.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 17378582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).