1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole

C15H22N4 — CID 64779569

IUPAC1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2ccn(C3CCCCC3)n2)n1
InChIInChI=1S/C15H22N4/c1-12-10-13(2)19(16-12)11-14-8-9-18(17-14)15-6-4-3-5-7-15/h8-10,15H,3-7,11H2,1-2H3
InChIKeyBHSQOOYJODKSFI-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.25
Rot. Bonds3

About 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole

1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole (PubChem CID 64779569) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole
PubChem CID64779569
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2ccn(C3CCCCC3)n2)n1
InChIInChI=1S/C15H22N4/c1-12-10-13(2)19(16-12)11-14-8-9-18(17-14)15-6-4-3-5-7-15/h8-10,15H,3-7,11H2,1-2H3
InChIKeyBHSQOOYJODKSFI-UHFFFAOYSA-N
XLogP3.25
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776964
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 64785538
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776963
2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105102425
(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 104975598
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole (CID 64779569) is 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(Cc2ccn(C3CCCCC3)n2)n1.
What is the InChIKey of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole?
The InChIKey is BHSQOOYJODKSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12-10-13(2)19(16-12)11-14-8-9-18(17-14)15-6-4-3-5-7-15/h8-10,15H,3-7,11H2,1-2H3.
What are the key properties of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole?
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole has a molecular weight of 258.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 64779569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).