1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea

C19H19ClN4O2 — CID 2956043

IUPAC1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea
SMILESCOc1cccc(Cn2cc(NC(=O)Nc3ccc(C)c(Cl)c3)cn2)c1
InChIInChI=1S/C19H19ClN4O2/c1-13-6-7-15(9-18(13)20)22-19(25)23-16-10-21-24(12-16)11-14-4-3-5-17(8-14)26-2/h3-10,12H,11H2,1-2H3,(H2,22,23,25)
InChIKeyCZZDKJJXOXGSPM-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.55
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea

1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea (PubChem CID 2956043) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea
PubChem CID2956043
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea
SMILESCOc1cccc(Cn2cc(NC(=O)Nc3ccc(C)c(Cl)c3)cn2)c1
InChIInChI=1S/C19H19ClN4O2/c1-13-6-7-15(9-18(13)20)22-19(25)23-16-10-21-24(12-16)11-14-4-3-5-17(8-14)26-2/h3-10,12H,11H2,1-2H3,(H2,22,23,25)
InChIKeyCZZDKJJXOXGSPM-UHFFFAOYSA-N
XLogP4.55
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 17284912
1-(3-chloro-4-fluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]thiourea
CID 19343827
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 19447912
1-(3-chloro-4-fluorophenyl)-3-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]urea
CID 39853575
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19544076
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
2-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 35521452
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
CID 35521519
N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921688
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559692
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea (CID 2956043) is 1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea is COc1cccc(Cn2cc(NC(=O)Nc3ccc(C)c(Cl)c3)cn2)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea?
The InChIKey is CZZDKJJXOXGSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-13-6-7-15(9-18(13)20)22-19(25)23-16-10-21-24(12-16)11-14-4-3-5-17(8-14)26-2/h3-10,12H,11H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea?
1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea has a molecular weight of 370.84 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 2956043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).