4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide

C12H15N5O — CID 65363090

IUPAC4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)c2cccnc2)n1
InChIInChI=1S/C12H15N5O/c1-3-17-8-10(13)11(15-17)12(18)16(2)9-5-4-6-14-7-9/h4-8H,3,13H2,1-2H3
InChIKeyUXNSLXFADVZFLW-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.16
Rot. Bonds3

About 4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide

4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 65363090) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID65363090
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)c2cccnc2)n1
InChIInChI=1S/C12H15N5O/c1-3-17-8-10(13)11(15-17)12(18)16(2)9-5-4-6-14-7-9/h4-8H,3,13H2,1-2H3
InChIKeyUXNSLXFADVZFLW-UHFFFAOYSA-N
XLogP1.16
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide (CID 65363090) is 4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N(C)c2cccnc2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is UXNSLXFADVZFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-17-8-10(13)11(15-17)12(18)16(2)9-5-4-6-14-7-9/h4-8H,3,13H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide?
4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 65363090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).