1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide

C9H12N6O — CID 103725904

IUPAC1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(C)n1)c1ncn[nH]1
InChIInChI=1S/C9H12N6O/c1-6(8-10-5-11-13-8)12-9(16)7-3-4-15(2)14-7/h3-6H,1-2H3,(H,12,16)(H,10,11,13)
InChIKeyCREJREJWZWBNTO-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.03
Rot. Bonds3

About 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide

1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 103725904) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
PubChem CID103725904
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(C)n1)c1ncn[nH]1
InChIInChI=1S/C9H12N6O/c1-6(8-10-5-11-13-8)12-9(16)7-3-4-15(2)14-7/h3-6H,1-2H3,(H,12,16)(H,10,11,13)
InChIKeyCREJREJWZWBNTO-UHFFFAOYSA-N
XLogP0.03
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
N-(1-chloropropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122581
5-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106283130
N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 104580688
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
5-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106281493
1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide
CID 103118084
6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide
CID 106283109
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
CID 103741487
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106283538

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide (CID 103725904) is 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide is CC(NC(=O)c1ccn(C)n1)c1ncn[nH]1.
What is the InChIKey of 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is CREJREJWZWBNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-6(8-10-5-11-13-8)12-9(16)7-3-4-15(2)14-7/h3-6H,1-2H3,(H,12,16)(H,10,11,13).
What are the key properties of 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide?
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 220.24 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 103725904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).