N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide

C11H15N5O2 — CID 19262670

IUPACN-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCCOCn1cc(NC(=O)c2ccn(C)n2)cn1
InChIInChI=1S/C11H15N5O2/c1-3-18-8-16-7-9(6-12-16)13-11(17)10-4-5-15(2)14-10/h4-7H,3,8H2,1-2H3,(H,13,17)
InChIKeyCCEHUZJCSZPCSG-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.86
Rot. Bonds5

About N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide

N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 19262670) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID19262670
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCCOCn1cc(NC(=O)c2ccn(C)n2)cn1
InChIInChI=1S/C11H15N5O2/c1-3-18-8-16-7-9(6-12-16)13-11(17)10-4-5-15(2)14-10/h4-7H,3,8H2,1-2H3,(H,13,17)
InChIKeyCCEHUZJCSZPCSG-UHFFFAOYSA-N
XLogP0.86
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-bromophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272527
1-[3-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470809
4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262933
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19264437
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275792
N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
CID 19340648
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265053
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide
CID 19475516
4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266362
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide (CID 19262670) is N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide is CCOCn1cc(NC(=O)c2ccn(C)n2)cn1.
What is the InChIKey of N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is CCEHUZJCSZPCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-18-8-16-7-9(6-12-16)13-11(17)10-4-5-15(2)14-10/h4-7H,3,8H2,1-2H3,(H,13,17).
What are the key properties of N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).