N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide

C16H20N4O2 — CID 18775567

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccnn1C(C)C1CC1
InChIInChI=1S/C16H20N4O2/c1-3-22-16-13(5-4-9-17-16)15(21)19-14-8-10-18-20(14)11(2)12-6-7-12/h4-5,8-12H,3,6-7H2,1-2H3,(H,19,21)
InChIKeyPPYSXJNFZMBKGA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide (PubChem CID 18775567) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
PubChem CID18775567
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccnn1C(C)C1CC1
InChIInChI=1S/C16H20N4O2/c1-3-22-16-13(5-4-9-17-16)15(21)19-14-8-10-18-20(14)11(2)12-6-7-12/h4-5,8-12H,3,6-7H2,1-2H3,(H,19,21)
InChIKeyPPYSXJNFZMBKGA-UHFFFAOYSA-N
XLogP2.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide (CID 18775567) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccnn1C(C)C1CC1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is PPYSXJNFZMBKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-22-16-13(5-4-9-17-16)15(21)19-14-8-10-18-20(14)11(2)12-6-7-12/h4-5,8-12H,3,6-7H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 18775567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).