1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea

C19H17FN6O — CID 135222716

IUPAC1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
SMILESCn1nc(-c2ccc(NC(=O)NCc3cn[nH]c3)cc2)c2cc(F)ccc21
InChIInChI=1S/C19H17FN6O/c1-26-17-7-4-14(20)8-16(17)18(25-26)13-2-5-15(6-3-13)24-19(27)21-9-12-10-22-23-11-12/h2-8,10-11H,9H2,1H3,(H,22,23)(H2,21,24,27)
InChIKeyBLWGDUOVEKGOSA-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.42
Rot. Bonds4

About 1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea

1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea (PubChem CID 135222716) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
PubChem CID135222716
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
SMILESCn1nc(-c2ccc(NC(=O)NCc3cn[nH]c3)cc2)c2cc(F)ccc21
InChIInChI=1S/C19H17FN6O/c1-26-17-7-4-14(20)8-16(17)18(25-26)13-2-5-15(6-3-13)24-19(27)21-9-12-10-22-23-11-12/h2-8,10-11H,9H2,1H3,(H,22,23)(H2,21,24,27)
InChIKeyBLWGDUOVEKGOSA-UHFFFAOYSA-N
XLogP3.42
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
The IUPAC name of 1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea (CID 135222716) is 1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
The canonical SMILES for 1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea is Cn1nc(-c2ccc(NC(=O)NCc3cn[nH]c3)cc2)c2cc(F)ccc21.
What is the InChIKey of 1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
The InChIKey is BLWGDUOVEKGOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-26-17-7-4-14(20)8-16(17)18(25-26)13-2-5-15(6-3-13)24-19(27)21-9-12-10-22-23-11-12/h2-8,10-11H,9H2,1H3,(H,22,23)(H2,21,24,27).
What are the key properties of 1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea has a molecular weight of 364.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1-methylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea is sourced from PubChem (CID 135222716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).