(3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone

C10H11N3O — CID 3078468

IUPAC(3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
SMILESCC1CC=NN1C(=O)c1cccnc1
InChIInChI=1S/C10H11N3O/c1-8-4-6-12-13(8)10(14)9-3-2-5-11-7-9/h2-3,5-8H,4H2,1H3
InChIKeyKKMMIKKVFRCZBO-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.30
Rot. Bonds1

About (3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone

(3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone (PubChem CID 3078468) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
PubChem CID3078468
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
SMILESCC1CC=NN1C(=O)c1cccnc1
InChIInChI=1S/C10H11N3O/c1-8-4-6-12-13(8)10(14)9-3-2-5-11-7-9/h2-3,5-8H,4H2,1H3
InChIKeyKKMMIKKVFRCZBO-UHFFFAOYSA-N
XLogP1.30
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone?
The IUPAC name of (3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone (CID 3078468) is (3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone is CC1CC=NN1C(=O)c1cccnc1.
What is the InChIKey of (3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone?
The InChIKey is KKMMIKKVFRCZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-4-6-12-13(8)10(14)9-3-2-5-11-7-9/h2-3,5-8H,4H2,1H3.
What are the key properties of (3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone?
(3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone has a molecular weight of 189.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 3078468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).