4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide

C12H18N6O — CID 80680651

IUPAC4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCc2cnn(C)c2)c1N
InChIInChI=1S/C12H18N6O/c1-3-9-10(13)11(17-16-9)12(19)14-5-4-8-6-15-18(2)7-8/h6-7H,3-5,13H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyODAIRRRQFWIEML-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.26
Rot. Bonds5

About 4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 80680651) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID80680651
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCc2cnn(C)c2)c1N
InChIInChI=1S/C12H18N6O/c1-3-9-10(13)11(17-16-9)12(19)14-5-4-8-6-15-18(2)7-8/h6-7H,3-5,13H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyODAIRRRQFWIEML-UHFFFAOYSA-N
XLogP0.26
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 80680651) is 4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCCc2cnn(C)c2)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ODAIRRRQFWIEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-9-10(13)11(17-16-9)12(19)14-5-4-8-6-15-18(2)7-8/h6-7H,3-5,13H2,1-2H3,(H,14,19)(H,16,17).
What are the key properties of 4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.26, 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-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 80680651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).