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

C21H17ClN4O2 — CID 19448067

IUPAC1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1cnn(COc2cccc(Cl)c2)c1)Nc1cccc2ccccc12
InChIInChI=1S/C21H17ClN4O2/c22-16-7-4-8-18(11-16)28-14-26-13-17(12-23-26)24-21(27)25-20-10-3-6-15-5-1-2-9-19(15)20/h1-13H,14H2,(H2,24,25,27)
InChIKeyRZBRLHCQHMPECA-UHFFFAOYSA-N
MW392.85 g/mol
LogP5.37
Rot. Bonds5

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

1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea (PubChem CID 19448067) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
PubChem CID19448067
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1cnn(COc2cccc(Cl)c2)c1)Nc1cccc2ccccc12
InChIInChI=1S/C21H17ClN4O2/c22-16-7-4-8-18(11-16)28-14-26-13-17(12-23-26)24-21(27)25-20-10-3-6-15-5-1-2-9-19(15)20/h1-13H,14H2,(H2,24,25,27)
InChIKeyRZBRLHCQHMPECA-UHFFFAOYSA-N
XLogP5.37
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.85
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 17266709
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-(2-methylphenyl)thiourea
CID 19445501
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 19447912
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 19281175
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)thiourea
CID 19445499
3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19566294
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-[3-(dimethylamino)propyl]thiourea
CID 19344912
1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-(2-chlorophenyl)urea
CID 35592335
4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408613
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262105
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19408605
1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea
CID 19447846

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea (CID 19448067) is 1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea is O=C(Nc1cnn(COc2cccc(Cl)c2)c1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea?
The InChIKey is RZBRLHCQHMPECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c22-16-7-4-8-18(11-16)28-14-26-13-17(12-23-26)24-21(27)25-20-10-3-6-15-5-1-2-9-19(15)20/h1-13H,14H2,(H2,24,25,27).
What are the key properties of 1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea?
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea has a molecular weight of 392.85 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 19448067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).