N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide

C12H17N5O — CID 19278025

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1ccn(C)n1
InChIInChI=1S/C12H17N5O/c1-4-17-10(5-7-13-17)9-15(2)12(18)11-6-8-16(3)14-11/h5-8H,4,9H2,1-3H3
InChIKeyGJWOFQAOFXEJBD-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.91
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide

N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19278025) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19278025
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1ccn(C)n1
InChIInChI=1S/C12H17N5O/c1-4-17-10(5-7-13-17)9-15(2)12(18)11-6-8-16(3)14-11/h5-8H,4,9H2,1-3H3
InChIKeyGJWOFQAOFXEJBD-UHFFFAOYSA-N
XLogP0.91
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278608
1-[(3,5-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278825
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 122143622
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19575675
1-[2-[(2-ethylpyrazol-3-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624221
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847
N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 35520802
4-(difluoromethoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454317
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454265
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19278304
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19454341
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19478689

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide (CID 19278025) is N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide is CCn1nccc1CN(C)C(=O)c1ccn(C)n1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is GJWOFQAOFXEJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-17-10(5-7-13-17)9-15(2)12(18)11-6-8-16(3)14-11/h5-8H,4,9H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19278025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).