N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide

C10H11N4O+ — CID 4755325

IUPACN-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide
SMILESCc1cc[nH+]c(NC(=O)c2ccn[nH]2)c1
InChIInChI=1S/C10H10N4O/c1-7-2-4-11-9(6-7)13-10(15)8-3-5-12-14-8/h2-6H,1H3,(H,12,14)(H,11,13,15)/p+1
InChIKeyYTSBDQHFXBDZBE-UHFFFAOYSA-O
MW203.22 g/mol
LogP0.78
Rot. Bonds2

About N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide

N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 4755325) has the molecular formula C10H11N4O+ and a molecular weight of 203.22 g/mol. Its IUPAC name is N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID4755325
Molecular FormulaC10H11N4O+
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC NameN-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide
SMILESCc1cc[nH+]c(NC(=O)c2ccn[nH]2)c1
InChIInChI=1S/C10H10N4O/c1-7-2-4-11-9(6-7)13-10(15)8-3-5-12-14-8/h2-6H,1H3,(H,12,14)(H,11,13,15)/p+1
InChIKeyYTSBDQHFXBDZBE-UHFFFAOYSA-O
XLogP0.78
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide (CID 4755325) is N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide is Cc1cc[nH+]c(NC(=O)c2ccn[nH]2)c1.
What is the InChIKey of N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is YTSBDQHFXBDZBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10N4O/c1-7-2-4-11-9(6-7)13-10(15)8-3-5-12-14-8/h2-6H,1H3,(H,12,14)(H,11,13,15)/p+1.
What are the key properties of N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide?
N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 203.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyridin-1-ium-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4755325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).