N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide

C12H17N5O2 — CID 19475516

IUPACN-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCOCn1cc(NC(=O)c2ccnn2CC)cn1
InChIInChI=1S/C12H17N5O2/c1-3-17-11(5-6-13-17)12(18)15-10-7-14-16(8-10)9-19-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyYKMBDWWAKZJKAM-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.35
Rot. Bonds6

About N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide

N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide (PubChem CID 19475516) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide
PubChem CID19475516
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCOCn1cc(NC(=O)c2ccnn2CC)cn1
InChIInChI=1S/C12H17N5O2/c1-3-17-11(5-6-13-17)12(18)15-10-7-14-16(8-10)9-19-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyYKMBDWWAKZJKAM-UHFFFAOYSA-N
XLogP1.35
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482652
2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507277
2-ethyl-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475482
2-[5-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487759
2-[2-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485687
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475276
N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
CID 19340648
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262670
N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide
CID 19340608
4-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-nitrobenzamide
CID 19340667

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide (CID 19475516) is N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide is CCOCn1cc(NC(=O)c2ccnn2CC)cn1.
What is the InChIKey of N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is YKMBDWWAKZJKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-17-11(5-6-13-17)12(18)15-10-7-14-16(8-10)9-19-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,18).
What are the key properties of N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide?
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.35, 6 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]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19475516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).