1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea

C18H17N5O3 — CID 75400123

IUPAC1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(NNC(=O)c1cccc(O)c1)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H17N5O3/c24-16-7-2-5-14(11-16)17(25)21-22-18(26)20-15-6-1-4-13(10-15)12-23-9-3-8-19-23/h1-11,24H,12H2,(H,21,25)(H2,20,22,26)
InChIKeyASINPLVHBTYWDD-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.10
Rot. Bonds4

About 1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea

1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 75400123) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID75400123
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(NNC(=O)c1cccc(O)c1)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H17N5O3/c24-16-7-2-5-14(11-16)17(25)21-22-18(26)20-15-6-1-4-13(10-15)12-23-9-3-8-19-23/h1-11,24H,12H2,(H,21,25)(H2,20,22,26)
InChIKeyASINPLVHBTYWDD-UHFFFAOYSA-N
XLogP2.10
TPSA108.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(pyrazol-1-ylmethyl)phenol
CID 24745197
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
N-[(3-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724894
3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide
CID 17468530
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
CID 167797293
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440185
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 78861256

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (CID 75400123) is 1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is O=C(NNC(=O)c1cccc(O)c1)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is ASINPLVHBTYWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-16-7-2-5-14(11-16)17(25)21-22-18(26)20-15-6-1-4-13(10-15)12-23-9-3-8-19-23/h1-11,24H,12H2,(H,21,25)(H2,20,22,26).
What are the key properties of 1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 351.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 75400123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).