N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide

C20H19FN4O2 — CID 134325345

IUPACN-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide
SMILESCOc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3C)cn2)c1
InChIInChI=1S/C20H19FN4O2/c1-12-5-19(21)18(20(26)24-14-3-4-14)7-17(12)13-8-23-25(11-13)15-6-16(27-2)10-22-9-15/h5-11,14H,3-4H2,1-2H3,(H,24,26)
InChIKeyQRPKJMVCSDJIQA-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.28
Rot. Bonds5

About N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134325345) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide
PubChem CID134325345
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide
SMILESCOc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3C)cn2)c1
InChIInChI=1S/C20H19FN4O2/c1-12-5-19(21)18(20(26)24-14-3-4-14)7-17(12)13-8-23-25(11-13)15-6-16(27-2)10-22-9-15/h5-11,14H,3-4H2,1-2H3,(H,24,26)
InChIKeyQRPKJMVCSDJIQA-UHFFFAOYSA-N
XLogP3.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide 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 N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide (CID 134325345) is N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide is COc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3C)cn2)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is QRPKJMVCSDJIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-12-5-19(21)18(20(26)24-14-3-4-14)7-17(12)13-8-23-25(11-13)15-6-16(27-2)10-22-9-15/h5-11,14H,3-4H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 366.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134325345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).