N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide

C19H22N6O — CID 92578321

IUPACN-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NCCn1ncc(-c2ccncc2)c1C1CC1
InChIInChI=1S/C19H22N6O/c26-18(6-12-24-11-1-7-22-24)21-10-13-25-19(16-2-3-16)17(14-23-25)15-4-8-20-9-5-15/h1,4-5,7-9,11,14,16H,2-3,6,10,12-13H2,(H,21,26)
InChIKeyYFWUKSIWKUCBAD-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.23
Rot. Bonds8

About N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide

N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide (PubChem CID 92578321) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide
PubChem CID92578321
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NCCn1ncc(-c2ccncc2)c1C1CC1
InChIInChI=1S/C19H22N6O/c26-18(6-12-24-11-1-7-22-24)21-10-13-25-19(16-2-3-16)17(14-23-25)15-4-8-20-9-5-15/h1,4-5,7-9,11,14,16H,2-3,6,10,12-13H2,(H,21,26)
InChIKeyYFWUKSIWKUCBAD-UHFFFAOYSA-N
XLogP2.23
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide (CID 92578321) is N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NCCn1ncc(-c2ccncc2)c1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is YFWUKSIWKUCBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-18(6-12-24-11-1-7-22-24)21-10-13-25-19(16-2-3-16)17(14-23-25)15-4-8-20-9-5-15/h1,4-5,7-9,11,14,16H,2-3,6,10,12-13H2,(H,21,26).
What are the key properties of N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide?
N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 350.43 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 92578321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).