(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone

C12H12ClN3O — CID 114642305

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
SMILESCc1cnc(C(=O)c2c(Cl)cnn2C)c(C)c1
InChIInChI=1S/C12H12ClN3O/c1-7-4-8(2)10(14-5-7)12(17)11-9(13)6-15-16(11)3/h4-6H,1-3H3
InChIKeyVKFIDMHNSTULDH-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.32
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone (PubChem CID 114642305) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
PubChem CID114642305
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
SMILESCc1cnc(C(=O)c2c(Cl)cnn2C)c(C)c1
InChIInChI=1S/C12H12ClN3O/c1-7-4-8(2)10(14-5-7)12(17)11-9(13)6-15-16(11)3/h4-6H,1-3H3
InChIKeyVKFIDMHNSTULDH-UHFFFAOYSA-N
XLogP2.32
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 115809410
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
CID 114642301
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
(3,5-dimethyl-2-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114642302
(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
CID 114641937
3,5-dimethylpyridine-2-carboxylic acid
CID 15426890
(2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 107984639
(1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 112742471
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone
CID 114638889
(4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone
CID 105132628
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethanone
CID 114642247

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone (CID 114642305) is (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone is Cc1cnc(C(=O)c2c(Cl)cnn2C)c(C)c1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone?
The InChIKey is VKFIDMHNSTULDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-4-8(2)10(14-5-7)12(17)11-9(13)6-15-16(11)3/h4-6H,1-3H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone has a molecular weight of 249.70 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone is sourced from PubChem (CID 114642305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).