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

C19H16ClFN4O2 — CID 134325408

IUPAC4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide
SMILESCOc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)c1
InChIInChI=1S/C19H16ClFN4O2/c1-27-14-4-13(8-22-9-14)25-10-11(7-23-25)15-5-16(18(21)6-17(15)20)19(26)24-12-2-3-12/h4-10,12H,2-3H2,1H3,(H,24,26)
InChIKeyDUCKBLQRHHLBQD-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.63
Rot. Bonds5

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

4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide (PubChem CID 134325408) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide
PubChem CID134325408
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide
SMILESCOc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)c1
InChIInChI=1S/C19H16ClFN4O2/c1-27-14-4-13(8-22-9-14)25-10-11(7-23-25)15-5-16(18(21)6-17(15)20)19(26)24-12-2-3-12/h4-10,12H,2-3H2,1H3,(H,24,26)
InChIKeyDUCKBLQRHHLBQD-UHFFFAOYSA-N
XLogP3.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157031
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157041
US10138222, Example 33
CID 134325326
US10138222, Example 25
CID 134325345
US10138222, Example 173
CID 134325482
US10138222, Example 172
CID 134335694
US10138222, Example 147
CID 134325324
US10138222, Example 96
CID 134325352
US10138222, Example 27
CID 134325360
US10138222, Example 36
CID 134325385
US10138222, Example 28
CID 134325388
US10138222, Example 146
CID 134325397

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide (CID 134325408) is 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide is COc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)c1.
What is the InChIKey of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide?
The InChIKey is DUCKBLQRHHLBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-27-14-4-13(8-22-9-14)25-10-11(7-23-25)15-5-16(18(21)6-17(15)20)19(26)24-12-2-3-12/h4-10,12H,2-3H2,1H3,(H,24,26).
What are the key properties of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide?
4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide has a molecular weight of 386.81 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).