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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Related Compounds

5-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 161490750
5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 158453411
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
5-methyl-2-(pyridin-3-ylmethyl)benzoic acid
CID 104736791
5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 90351403
2-[(3-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418956
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78806232
5-[(3-chlorophenyl)methyl]-3-[2-[3-chloro-5-(trifluoromethyl)-2H-pyrrol-4-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 158137754
2-[2-(3-methylphenyl)ethyl]pyridin-3-amine
CID 112716961
1-[1-[(3-methylphenyl)methyl]-4-oxo-3H-phthalazin-6-yl]-3-pyridin-3-ylurea
CID 69152090
1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725685
2-(3-methylphenyl)-2-[2-[3-(2-pyridin-3-ylethyl)-4-pyridinyl]ethylamino]acetamide
CID 142792500

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).