N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide

C12H14N4O — CID 831914

IUPACN-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCCn1cc(CNC(=O)c2cccnc2)cn1
InChIInChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17)
InChIKeyBMMWLPQUDGCRRJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.23
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 831914) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID831914
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCCn1cc(CNC(=O)c2cccnc2)cn1
InChIInChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17)
InChIKeyBMMWLPQUDGCRRJ-UHFFFAOYSA-N
XLogP1.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide (CID 831914) is N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide is CCn1cc(CNC(=O)c2cccnc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is BMMWLPQUDGCRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 831914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).