1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide

C9H11N5O — CID 110471391

IUPAC1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nccn2C)cn1
InChIInChI=1S/C9H11N5O/c1-13-4-3-10-9(13)12-8(15)7-5-11-14(2)6-7/h3-6H,1-2H3,(H,10,12,15)
InChIKeyJINULFHLWKEAAX-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.41
Rot. Bonds2

About 1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide

1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide (PubChem CID 110471391) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide
PubChem CID110471391
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nccn2C)cn1
InChIInChI=1S/C9H11N5O/c1-13-4-3-10-9(13)12-8(15)7-5-11-14(2)6-7/h3-6H,1-2H3,(H,10,12,15)
InChIKeyJINULFHLWKEAAX-UHFFFAOYSA-N
XLogP0.41
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-Methyl-1H-imidazol-4-yl)-1H-pyrazole-4-carbaldehyde
CID 86641655
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53602016
(1-Methylpyrazol-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53614117
N-[(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 97467591
[3-[(2-Methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258822
1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide
CID 86784887
N-[2-(3-methylimidazol-4-yl)ethyl]-1-propylpyrazole-4-carboxamide
CID 86798637
N-[1-(1H-imidazol-1-ylmethyl)propyl]-3-(4-methyl-1H-pyrazol-1-yl)propanamide
CID 91769801
1-ethyl-N-[(2S)-3-imidazol-1-yl-2-methylpropyl]pyrazole-4-carboxamide
CID 97588015
1-[3-(2-Methyl-1H-imidazol-1-YL)azetidin-1-YL]-3-(4-methyl-1H-pyrazol-1-YL)propan-1-one
CID 124046866
3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide
CID 125439014
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 132381026

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide (CID 110471391) is 1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2nccn2C)cn1.
What is the InChIKey of 1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is JINULFHLWKEAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-13-4-3-10-9(13)12-8(15)7-5-11-14(2)6-7/h3-6H,1-2H3,(H,10,12,15).
What are the key properties of 1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide?
1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 110471391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).