4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide

C11H16N6O — CID 62080974

IUPAC4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCn2cccn2)c1N
InChIInChI=1S/C11H16N6O/c1-2-8-9(12)10(16-15-8)11(18)13-5-7-17-6-3-4-14-17/h3-4,6H,2,5,7,12H2,1H3,(H,13,18)(H,15,16)
InChIKeyMKVSCRIZQFRFPR-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.18
Rot. Bonds5

About 4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62080974) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID62080974
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCn2cccn2)c1N
InChIInChI=1S/C11H16N6O/c1-2-8-9(12)10(16-15-8)11(18)13-5-7-17-6-3-4-14-17/h3-4,6H,2,5,7,12H2,1H3,(H,13,18)(H,15,16)
InChIKeyMKVSCRIZQFRFPR-UHFFFAOYSA-N
XLogP0.18
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 62077584
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CID 80680651
4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 114161696
4-amino-5-ethyl-N-(1-ethylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
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CID 113449775
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
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CID 62855459
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
CID 62239354
6-amino-N-(2-pyrazol-1-ylethyl)pyridazine-3-carboxamide
CID 62186175
4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 107210252
4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 63981757

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide (CID 62080974) is 4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCCn2cccn2)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MKVSCRIZQFRFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-2-8-9(12)10(16-15-8)11(18)13-5-7-17-6-3-4-14-17/h3-4,6H,2,5,7,12H2,1H3,(H,13,18)(H,15,16).
What are the key properties of 4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62080974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).