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

C19H17ClN4O2 — CID 134325360

IUPAC4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide
SMILESCOc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3Cl)cn2)c1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-7-15(9-21-10-16)24-11-13(8-22-24)17-6-12(2-5-18(17)20)19(25)23-14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,23,25)
InChIKeyJQWCZCQCJZURCH-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.49
Rot. Bonds5

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

4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide (PubChem CID 134325360) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide
PubChem CID134325360
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide
SMILESCOc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3Cl)cn2)c1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-7-15(9-21-10-16)24-11-13(8-22-24)17-6-12(2-5-18(17)20)19(25)23-14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,23,25)
InChIKeyJQWCZCQCJZURCH-UHFFFAOYSA-N
XLogP3.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide (CID 134325360) is 4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide is COc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3Cl)cn2)c1.
What is the InChIKey of 4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide?
The InChIKey is JQWCZCQCJZURCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-16-7-15(9-21-10-16)24-11-13(8-22-24)17-6-12(2-5-18(17)20)19(25)23-14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,23,25).
What are the key properties of 4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide?
4-chloro-N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide has a molecular weight of 368.82 g/mol, XLogP of 3.49, 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-3-[1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).