N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide

C14H16N4O — CID 71807891

IUPACN-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1ccc(-c2ccccn2)n1)C1CC1
InChIInChI=1S/C14H16N4O/c19-14(11-4-5-11)16-8-10-18-9-6-13(17-18)12-3-1-2-7-15-12/h1-3,6-7,9,11H,4-5,8,10H2,(H,16,19)
InChIKeyHIFRFRNKAQNMBR-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.47
Rot. Bonds5

About N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide

N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 71807891) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID71807891
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1ccc(-c2ccccn2)n1)C1CC1
InChIInChI=1S/C14H16N4O/c19-14(11-4-5-11)16-8-10-18-9-6-13(17-18)12-3-1-2-7-15-12/h1-3,6-7,9,11H,4-5,8,10H2,(H,16,19)
InChIKeyHIFRFRNKAQNMBR-UHFFFAOYSA-N
XLogP1.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide (CID 71807891) is N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide is O=C(NCCn1ccc(-c2ccccn2)n1)C1CC1.
What is the InChIKey of N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is HIFRFRNKAQNMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(11-4-5-11)16-8-10-18-9-6-13(17-18)12-3-1-2-7-15-12/h1-3,6-7,9,11H,4-5,8,10H2,(H,16,19).
What are the key properties of N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide?
N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71807891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).