(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone

C13H17ClN4O — CID 105130314

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)c2c(Cl)cnn2CC)n(CC)n1
InChIInChI=1S/C13H17ClN4O/c1-4-9-7-11(17(5-2)16-9)13(19)12-10(14)8-15-18(12)6-3/h7-8H,4-6H2,1-3H3
InChIKeyNPXHUTRAPCNVPR-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.57
Rot. Bonds5

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

(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone (PubChem CID 105130314) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
PubChem CID105130314
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)c2c(Cl)cnn2CC)n(CC)n1
InChIInChI=1S/C13H17ClN4O/c1-4-9-7-11(17(5-2)16-9)13(19)12-10(14)8-15-18(12)6-3/h7-8H,4-6H2,1-3H3
InChIKeyNPXHUTRAPCNVPR-UHFFFAOYSA-N
XLogP2.57
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114671121
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130796
(1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone
CID 105085413
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967804
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967803
(3-amino-5-bromophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670517
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
1-(4-chloro-1-ethylpyrazol-5-yl)prop-2-en-1-one
CID 103453544
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone (CID 105130314) is (4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone is CCc1cc(C(=O)c2c(Cl)cnn2CC)n(CC)n1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The InChIKey is NPXHUTRAPCNVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-4-9-7-11(17(5-2)16-9)13(19)12-10(14)8-15-18(12)6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone has a molecular weight of 280.76 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone is sourced from PubChem (CID 105130314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).