3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide

C19H20N4O — CID 158675133

IUPAC3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1cccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1
InChIInChI=1S/C19H20N4O/c1-13-4-2-5-14(10-13)7-8-16-18(19(20)24)17(23-22-16)11-15-6-3-9-21-12-15/h2-6,9-10,12H,7-8,11H2,1H3,(H2,20,24)(H,22,23)
InChIKeyHJOLAEUXRJXIRN-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.59
Rot. Bonds6

About 3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide

3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 158675133) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID158675133
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1cccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1
InChIInChI=1S/C19H20N4O/c1-13-4-2-5-14(10-13)7-8-16-18(19(20)24)17(23-22-16)11-15-6-3-9-21-12-15/h2-6,9-10,12H,7-8,11H2,1H3,(H2,20,24)(H,22,23)
InChIKeyHJOLAEUXRJXIRN-UHFFFAOYSA-N
XLogP2.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide (CID 158675133) is 3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide is Cc1cccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is HJOLAEUXRJXIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-4-2-5-14(10-13)7-8-16-18(19(20)24)17(23-22-16)11-15-6-3-9-21-12-15/h2-6,9-10,12H,7-8,11H2,1H3,(H2,20,24)(H,22,23).
What are the key properties of 3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158675133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).