1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea

Name: 1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₃ClFN₅O — CID 155950936

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea

SMILESO=C(NCc1ccc(F)c(Cl)c1)Nc1cnn(-c2ccccn2)c1

InChIInChI=1S/C16H13ClFN5O/c17-13-7-11(4-5-14(13)18)8-20-16(24)22-12-9-21-23(10-12)15-3-1-2-6-19-15/h1-7,9-10H,8H2,(H2,20,22,24)

InChIKeyCTGHHGRYMXCKKS-UHFFFAOYSA-N

MW345.77 g/mol

LogP3.38

Rot. Bonds4

About 1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea

1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea (PubChem CID 155950936) has the molecular formula C₁₆H₁₃ClFN₅O and a molecular weight of 345.77 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name	1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
PubChem CID	155950936
Molecular Formula	C₁₆H₁₃ClFN₅O
Molecular Weight	345.77 g/mol
Exact Mass	345.08
IUPAC Name	1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
SMILES	O=C(NCc1ccc(F)c(Cl)c1)Nc1cnn(-c2ccccn2)c1
InChI	InChI=1S/C16H13ClFN5O/c17-13-7-11(4-5-14(13)18)8-20-16(24)22-12-9-21-23(10-12)15-3-1-2-6-19-15/h1-7,9-10H,8H2,(H2,20,22,24)
InChIKey	CTGHHGRYMXCKKS-UHFFFAOYSA-N
XLogP	3.38
TPSA	71.84 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.77
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea?

The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea (CID 155950936) is 1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea.

What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea?

The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea is O=C(NCc1ccc(F)c(Cl)c1)Nc1cnn(-c2ccccn2)c1.

What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea?

The InChIKey is CTGHHGRYMXCKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O/c17-13-7-11(4-5-14(13)18)8-20-16(24)22-12-9-21-23(10-12)15-3-1-2-6-19-15/h1-7,9-10H,8H2,(H2,20,22,24).

What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea?

1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea has a molecular weight of 345.77 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 155950936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 155950936 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.