(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone

C12H13N3O — CID 63976118

IUPAC(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
SMILESCCCn1nccc1C(=O)c1ccccn1
InChIInChI=1S/C12H13N3O/c1-2-9-15-11(6-8-14-15)12(16)10-5-3-4-7-13-10/h3-8H,2,9H2,1H3
InChIKeyGGALKKDVEZUZGI-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.92
Rot. Bonds4

About (2-propylpyrazol-3-yl)-pyridin-2-ylmethanone

(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone (PubChem CID 63976118) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (2-propylpyrazol-3-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
PubChem CID63976118
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
SMILESCCCn1nccc1C(=O)c1ccccn1
InChIInChI=1S/C12H13N3O/c1-2-9-15-11(6-8-14-15)12(16)10-5-3-4-7-13-10/h3-8H,2,9H2,1H3
InChIKeyGGALKKDVEZUZGI-UHFFFAOYSA-N
XLogP1.92
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone
CID 105100116
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanone
CID 63976768
2-propylpyrazole-3-carboxylic acid
CID 7017775
naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone
CID 63976981
(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
CID 114638964
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
N-phenyl-2-propylpyrazole-3-carboxamide
CID 39891941
[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone
CID 116548209
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
(E)-1-(2-propylpyrazol-3-yl)but-2-en-1-one
CID 103453337
2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 103447030

Frequently Asked Questions

What is the IUPAC name of (2-propylpyrazol-3-yl)-pyridin-2-ylmethanone?
The IUPAC name of (2-propylpyrazol-3-yl)-pyridin-2-ylmethanone (CID 63976118) is (2-propylpyrazol-3-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2-propylpyrazol-3-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (2-propylpyrazol-3-yl)-pyridin-2-ylmethanone is CCCn1nccc1C(=O)c1ccccn1.
What is the InChIKey of (2-propylpyrazol-3-yl)-pyridin-2-ylmethanone?
The InChIKey is GGALKKDVEZUZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-9-15-11(6-8-14-15)12(16)10-5-3-4-7-13-10/h3-8H,2,9H2,1H3.
What are the key properties of (2-propylpyrazol-3-yl)-pyridin-2-ylmethanone?
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone has a molecular weight of 215.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrazol-3-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 63976118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).