N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide

C12H17N5O — CID 19575699

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2ccnn2C)cn1
InChIInChI=1S/C12H17N5O/c1-4-17-9-10(7-14-17)8-15(2)12(18)11-5-6-13-16(11)3/h5-7,9H,4,8H2,1-3H3
InChIKeyLFJNHXZZARSZOM-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.91
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 19575699) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID19575699
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2ccnn2C)cn1
InChIInChI=1S/C12H17N5O/c1-4-17-9-10(7-14-17)8-15(2)12(18)11-5-6-13-16(11)3/h5-7,9H,4,8H2,1-3H3
InChIKeyLFJNHXZZARSZOM-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

2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478740
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19619348
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 17020519
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 131938566
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 39891647
N-(2-chloroethyl)-N,2-dimethylpyrazole-3-carboxamide
CID 63391388
3-bromo-5-[(1-ethylpyrazol-4-yl)methyl-methylcarbamoyl]benzoic acid
CID 136544031
1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea
CID 154841350
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515538
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
CID 35535097
1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477840

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide (CID 19575699) is N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide is CCn1cc(CN(C)C(=O)c2ccnn2C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is LFJNHXZZARSZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-17-9-10(7-14-17)8-15(2)12(18)11-5-6-13-16(11)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-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-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19575699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).