N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C19H22N6O2 — CID 72718732

IUPACN-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
InChIInChI=1S/C19H22N6O2/c1-24-12-14(19(23-24)27-2)18(26)21-9-10-25-17(13-6-7-13)11-16(22-25)15-5-3-4-8-20-15/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,21,26)
InChIKeyLCYOPALNWUGJSI-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.99
Rot. Bonds7

About N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 72718732) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID72718732
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
InChIInChI=1S/C19H22N6O2/c1-24-12-14(19(23-24)27-2)18(26)21-9-10-25-17(13-6-7-13)11-16(22-25)15-5-3-4-8-20-15/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,21,26)
InChIKeyLCYOPALNWUGJSI-UHFFFAOYSA-N
XLogP1.99
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 72718732) is N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCCn1nc(-c2ccccn2)cc1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is LCYOPALNWUGJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-24-12-14(19(23-24)27-2)18(26)21-9-10-25-17(13-6-7-13)11-16(22-25)15-5-3-4-8-20-15/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,21,26).
What are the key properties of N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 72718732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).