N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide

C19H19N5O2 — CID 134325417

IUPACN-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide
SMILESCOc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)n1
InChIInChI=1S/C19H19N5O2/c1-12-3-4-13(19(25)22-15-5-6-15)7-16(12)14-8-21-24(11-14)17-9-20-10-18(23-17)26-2/h3-4,7-11,15H,5-6H2,1-2H3,(H,22,25)
InChIKeyJOBBHTBLWQFGAR-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.54
Rot. Bonds5

About N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134325417) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide
PubChem CID134325417
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide
SMILESCOc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)n1
InChIInChI=1S/C19H19N5O2/c1-12-3-4-13(19(25)22-15-5-6-15)7-16(12)14-8-21-24(11-14)17-9-20-10-18(23-17)26-2/h3-4,7-11,15H,5-6H2,1-2H3,(H,22,25)
InChIKeyJOBBHTBLWQFGAR-UHFFFAOYSA-N
XLogP2.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide (CID 134325417) is N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide is COc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)n1.
What is the InChIKey of N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is JOBBHTBLWQFGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-3-4-13(19(25)22-15-5-6-15)7-16(12)14-8-21-24(11-14)17-9-20-10-18(23-17)26-2/h3-4,7-11,15H,5-6H2,1-2H3,(H,22,25).
What are the key properties of N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 349.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134325417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).