5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole

C11H15ClN4O — CID 165474654

IUPAC5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole
SMILESCOCC(C)n1nc(-c2ccnn2C)cc1Cl
InChIInChI=1S/C11H15ClN4O/c1-8(7-17-3)16-11(12)6-9(14-16)10-4-5-13-15(10)2/h4-6,8H,7H2,1-3H3
InChIKeyHFYMMRFNPZJYMO-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.14
Rot. Bonds4

About 5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole

5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole (PubChem CID 165474654) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole
PubChem CID165474654
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole
SMILESCOCC(C)n1nc(-c2ccnn2C)cc1Cl
InChIInChI=1S/C11H15ClN4O/c1-8(7-17-3)16-11(12)6-9(14-16)10-4-5-13-15(10)2/h4-6,8H,7H2,1-3H3
InChIKeyHFYMMRFNPZJYMO-UHFFFAOYSA-N
XLogP2.14
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole
CID 165474574
[1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
CID 165474789
2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 165474575
3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole
CID 165474652
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole
CID 116869199
5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
CID 116869159
1-(1-methoxypropan-2-yl)-4-methyl-N-(2-methylpyrazol-3-yl)imidazol-2-amine
CID 106565839
5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122162697
4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine
CID 114553959
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
5-(3,4-dichlorophenyl)-1-methylpyrazole
CID 71232464

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole?
The IUPAC name of 5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole (CID 165474654) is 5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole.
What is the SMILES notation for 5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole?
The canonical SMILES for 5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole is COCC(C)n1nc(-c2ccnn2C)cc1Cl.
What is the InChIKey of 5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole?
The InChIKey is HFYMMRFNPZJYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-8(7-17-3)16-11(12)6-9(14-16)10-4-5-13-15(10)2/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole?
5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole has a molecular weight of 254.72 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole is sourced from PubChem (CID 165474654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).