4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole

C12H17ClN4O — CID 116805241

IUPAC4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole
SMILESCc1nn(C)c(COc2cnn(C(C)C)c2)c1Cl
InChIInChI=1S/C12H17ClN4O/c1-8(2)17-6-10(5-14-17)18-7-11-12(13)9(3)15-16(11)4/h5-6,8H,7H2,1-4H3
InChIKeyOPIXPWAQISYGTP-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.74
Rot. Bonds4

About 4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole

4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole (PubChem CID 116805241) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole
PubChem CID116805241
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole
SMILESCc1nn(C)c(COc2cnn(C(C)C)c2)c1Cl
InChIInChI=1S/C12H17ClN4O/c1-8(2)17-6-10(5-14-17)18-7-11-12(13)9(3)15-16(11)4/h5-6,8H,7H2,1-4H3
InChIKeyOPIXPWAQISYGTP-UHFFFAOYSA-N
XLogP2.74
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805404
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole
CID 116805369
4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
CID 116800947
4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole
CID 116794058
4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole
CID 116805429
5-[(3-bromo-5-fluorophenoxy)methyl]-4-chloro-1,3-dimethylpyrazole
CID 81331692
4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole
CID 116804653
O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
CID 79427033
(2S)-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]propanoic acid
CID 104876117
(1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025770
2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
CID 116805488

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole?
The IUPAC name of 4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole (CID 116805241) is 4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole.
What is the SMILES notation for 4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole?
The canonical SMILES for 4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole is Cc1nn(C)c(COc2cnn(C(C)C)c2)c1Cl.
What is the InChIKey of 4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole?
The InChIKey is OPIXPWAQISYGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-8(2)17-6-10(5-14-17)18-7-11-12(13)9(3)15-16(11)4/h5-6,8H,7H2,1-4H3.
What are the key properties of 4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole?
4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole has a molecular weight of 268.75 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole is sourced from PubChem (CID 116805241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).