4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide

C12H15N5O — CID 63669329

IUPAC4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccncc2C)c1N
InChIInChI=1S/C12H15N5O/c1-3-8-10(13)11(17-16-8)12(18)15-9-4-5-14-6-7(9)2/h4-6H,3,13H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyINILOSCSVPEZRY-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.51
Rot. Bonds3

About 4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide (PubChem CID 63669329) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide
PubChem CID63669329
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccncc2C)c1N
InChIInChI=1S/C12H15N5O/c1-3-8-10(13)11(17-16-8)12(18)15-9-4-5-14-6-7(9)2/h4-6H,3,13H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyINILOSCSVPEZRY-UHFFFAOYSA-N
XLogP1.51
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide (CID 63669329) is 4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2ccncc2C)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide?
The InChIKey is INILOSCSVPEZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-8-10(13)11(17-16-8)12(18)15-9-4-5-14-6-7(9)2/h4-6H,3,13H2,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of 4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63669329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).