1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea

C22H20N4O2 — CID 19447912

IUPAC1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
SMILESCOc1cccc(Cn2cc(NC(=O)Nc3cccc4ccccc34)cn2)c1
InChIInChI=1S/C22H20N4O2/c1-28-19-9-4-6-16(12-19)14-26-15-18(13-23-26)24-22(27)25-21-11-5-8-17-7-2-3-10-20(17)21/h2-13,15H,14H2,1H3,(H2,24,25,27)
InChIKeyIQAOFJYTDUODGM-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.74
Rot. Bonds5

About 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea

1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea (PubChem CID 19447912) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
PubChem CID19447912
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
SMILESCOc1cccc(Cn2cc(NC(=O)Nc3cccc4ccccc34)cn2)c1
InChIInChI=1S/C22H20N4O2/c1-28-19-9-4-6-16(12-19)14-26-15-18(13-23-26)24-22(27)25-21-11-5-8-17-7-2-3-10-20(17)21/h2-13,15H,14H2,1H3,(H2,24,25,27)
InChIKeyIQAOFJYTDUODGM-UHFFFAOYSA-N
XLogP4.74
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.74
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
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 17266709
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
CID 35521519
1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea
CID 2956043
2-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 35521452
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410114
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 19448067
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559692
4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410084

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea (CID 19447912) is 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea is COc1cccc(Cn2cc(NC(=O)Nc3cccc4ccccc34)cn2)c1.
What is the InChIKey of 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea?
The InChIKey is IQAOFJYTDUODGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-28-19-9-4-6-16(12-19)14-26-15-18(13-23-26)24-22(27)25-21-11-5-8-17-7-2-3-10-20(17)21/h2-13,15H,14H2,1H3,(H2,24,25,27).
What are the key properties of 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea?
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea has a molecular weight of 372.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 19447912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).