(4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone

C11H13ClN4O — CID 844639

IUPAC(4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2c(Cl)c(C)nn2C)n1
InChIInChI=1S/C11H13ClN4O/c1-6-5-7(2)16(13-6)11(17)10-9(12)8(3)14-15(10)4/h5H,1-4H3
InChIKeyPRWXKUXHODZJIM-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.88
Rot. Bonds1

About (4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone

(4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 844639) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is (4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID844639
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name(4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2c(Cl)c(C)nn2C)n1
InChIInChI=1S/C11H13ClN4O/c1-6-5-7(2)16(13-6)11(17)10-9(12)8(3)14-15(10)4/h5H,1-4H3
InChIKeyPRWXKUXHODZJIM-UHFFFAOYSA-N
XLogP1.88
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 6499812
(4-Chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 841673
3-[2-[[5-Chloro-3-(difluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanenitrile
CID 168296248
4-chloro-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrazole
CID 15943589
3-[2-[(3,5-Dichloropyrazol-1-yl)methyl]-7-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanenitrile
CID 168270206
3-[2-[[5-Chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanenitrile
CID 168285906
3-[2-[(5-Chloro-3-methylpyrazol-1-yl)methyl]-7-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanenitrile
CID 168292578
(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)(4-methyl-1H-pyrazol-1-yl)methanone
CID 4769449
(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-(4-iodo-1-methyl-1H-pyrazol-3-yl)-methanone
CID 616660
N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-ethyl-3-isopropyl-1H-pyrazole-5-carboxamide
CID 70768787
(2-Ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone
CID 90186040
(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone
CID 90186074

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 844639) is (4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)c2c(Cl)c(C)nn2C)n1.
What is the InChIKey of (4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is PRWXKUXHODZJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-6-5-7(2)16(13-6)11(17)10-9(12)8(3)14-15(10)4/h5H,1-4H3.
What are the key properties of (4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
(4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 252.70 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,3-dimethylpyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 844639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).