1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea

C30H29N5O3 — CID 118500948

IUPAC1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea
SMILESCCCCc1cc(NC(=O)Nc2cccc(Oc3cccnc3)c2)n(-c2cc(CO)c3ccccc3c2)n1
InChIInChI=1S/C30H29N5O3/c1-2-3-9-24-18-29(35(34-24)25-15-21-8-4-5-13-28(21)22(16-25)20-36)33-30(37)32-23-10-6-11-26(17-23)38-27-12-7-14-31-19-27/h4-8,10-19,36H,2-3,9,20H2,1H3,(H2,32,33,37)
InChIKeyJZACEVMMBRDZDS-UHFFFAOYSA-N
MW507.59 g/mol
LogP6.69
Rot. Bonds9

About 1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea

1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea (PubChem CID 118500948) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is 1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea
PubChem CID118500948
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC Name1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea
SMILESCCCCc1cc(NC(=O)Nc2cccc(Oc3cccnc3)c2)n(-c2cc(CO)c3ccccc3c2)n1
InChIInChI=1S/C30H29N5O3/c1-2-3-9-24-18-29(35(34-24)25-15-21-8-4-5-13-28(21)22(16-25)20-36)33-30(37)32-23-10-6-11-26(17-23)38-27-12-7-14-31-19-27/h4-8,10-19,36H,2-3,9,20H2,1H3,(H2,32,33,37)
InChIKeyJZACEVMMBRDZDS-UHFFFAOYSA-N
XLogP6.69
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 56.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-butyl-5-[1-(3-pyridin-3-yloxyanilino)ethenylamino]pyrazol-1-yl]-N-(2,3-dihydroxypropyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 143256186
1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea
CID 163902961
1-[3-butyl-1-(3-methoxyphenyl)pyrazol-5-yl]-3-(2,3-difluorophenyl)urea
CID 143256319
1-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 134427054
1-(1,3-benzodioxol-5-yl)-3-[3-butyl-1-(3-cyanophenyl)pyrazol-5-yl]urea
CID 143256519
1-[3-butyl-1-[4-(hydroxymethyl)phenyl]pyrazol-5-yl]-3-[4-[[2-[[6-(dimethylamino)pyrazin-2-yl]amino]-4-pyridinyl]methoxy]naphthalen-1-yl]urea
CID 118309247
2-[3-[3-tert-butyl-5-[[2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide
CID 67253693
1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea
CID 143256464
methyl 6-[3-tert-butyl-5-[(3-pyridin-3-yloxyphenyl)carbamoylamino]pyrazol-1-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 67271984
1-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methoxy]naphthalen-1-yl]urea
CID 134468768
1-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylanilino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 130315348
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 147730305

Frequently Asked Questions

What is the IUPAC name of 1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea?
The IUPAC name of 1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea (CID 118500948) is 1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea.
What is the SMILES notation for 1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea?
The canonical SMILES for 1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea is CCCCc1cc(NC(=O)Nc2cccc(Oc3cccnc3)c2)n(-c2cc(CO)c3ccccc3c2)n1.
What is the InChIKey of 1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea?
The InChIKey is JZACEVMMBRDZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3/c1-2-3-9-24-18-29(35(34-24)25-15-21-8-4-5-13-28(21)22(16-25)20-36)33-30(37)32-23-10-6-11-26(17-23)38-27-12-7-14-31-19-27/h4-8,10-19,36H,2-3,9,20H2,1H3,(H2,32,33,37).
What are the key properties of 1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea?
1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea has a molecular weight of 507.59 g/mol, XLogP of 6.69, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-butyl-1-[4-(hydroxymethyl)naphthalen-2-yl]pyrazol-5-yl]-3-(3-pyridin-3-yloxyphenyl)urea is sourced from PubChem (CID 118500948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).