1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea

C24H24N4O2 — CID 163902961

IUPAC1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea
SMILESCCCc1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(CO)c2)n1
InChIInChI=1S/C24H24N4O2/c1-2-7-19-15-23(28(27-19)20-11-5-8-17(14-20)16-29)26-24(30)25-22-13-6-10-18-9-3-4-12-21(18)22/h3-6,8-15,29H,2,7,16H2,1H3,(H2,25,26,30)
InChIKeyQLMAVUBAQDBCMT-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.11
Rot. Bonds6

About 1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea

1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea (PubChem CID 163902961) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea
PubChem CID163902961
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea
SMILESCCCc1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(CO)c2)n1
InChIInChI=1S/C24H24N4O2/c1-2-7-19-15-23(28(27-19)20-11-5-8-17(14-20)16-29)26-24(30)25-22-13-6-10-18-9-3-4-12-21(18)22/h3-6,8-15,29H,2,7,16H2,1H3,(H2,25,26,30)
InChIKeyQLMAVUBAQDBCMT-UHFFFAOYSA-N
XLogP5.11
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-tert-butyl-1-[3-(2-hydroxypropyl)phenyl]pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 69338647
1-[3-tert-butyl-1-[3-[(3,5-dioxo-2-phenyl-1,2,4-thiadiazolidin-4-yl)methyl]phenyl]pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 18449848
1-[3-tert-butyl-1-[3-[(2,4,5-trioxoimidazolidin-1-yl)methyl]phenyl]pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 18449843
1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 58011122
1-[1-[3-(aminomethyl)phenyl]-3-butylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 145201927
2-[3-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]propanoic acid
CID 141095324
2-[3-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenoxy]acetic acid
CID 58842920
1-[3-butyl-1-(3-methoxyphenyl)pyrazol-5-yl]-3-(2,3-difluorophenyl)urea
CID 143256319
1-[3-tert-butyl-1-[3-[(3-methyl-1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 68585105
1-[3-tert-butyl-1-[4-(1-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 68894654
2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide
CID 109388816
N-naphthalen-1-yl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998761

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea (CID 163902961) is 1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea is CCCc1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(CO)c2)n1.
What is the InChIKey of 1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea?
The InChIKey is QLMAVUBAQDBCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-7-19-15-23(28(27-19)20-11-5-8-17(14-20)16-29)26-24(30)25-22-13-6-10-18-9-3-4-12-21(18)22/h3-6,8-15,29H,2,7,16H2,1H3,(H2,25,26,30).
What are the key properties of 1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea?
1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea has a molecular weight of 400.48 g/mol, XLogP of 5.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 163902961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).