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

C13H17N5O — CID 114954354

IUPAC4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCc1cnccc1C
InChIInChI=1S/C13H17N5O/c1-3-18-12(11(14)8-17-18)13(19)16-7-10-6-15-5-4-9(10)2/h4-6,8H,3,7,14H2,1-2H3,(H,16,19)
InChIKeyWZWHMNTWYITPCH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.12
Rot. Bonds4

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

4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide (PubChem CID 114954354) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide
PubChem CID114954354
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCc1cnccc1C
InChIInChI=1S/C13H17N5O/c1-3-18-12(11(14)8-17-18)13(19)16-7-10-6-15-5-4-9(10)2/h4-6,8H,3,7,14H2,1-2H3,(H,16,19)
InChIKeyWZWHMNTWYITPCH-UHFFFAOYSA-N
XLogP1.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide (CID 114954354) is 4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCc1cnccc1C.
What is the InChIKey of 4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide?
The InChIKey is WZWHMNTWYITPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-18-12(11(14)8-17-18)13(19)16-7-10-6-15-5-4-9(10)2/h4-6,8H,3,7,14H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 114954354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).