3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole

C25H24N6 — CID 101085781

IUPAC3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole
SMILESCc1cc(C)n([C@H](n2ccc(-c3ccccc3)n2)n2nc(-c3ccccc3)cc2C)n1
InChIInChI=1S/C25H24N6/c1-18-16-19(2)30(26-18)25(29-15-14-23(27-29)21-10-6-4-7-11-21)31-20(3)17-24(28-31)22-12-8-5-9-13-22/h4-17,25H,1-3H3/t25-/m0/s1
InChIKeyKXMQPUXTTJXDNN-VWLOTQADSA-N
MW408.51 g/mol
LogP5.09
Rot. Bonds5

About 3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole

3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole (PubChem CID 101085781) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole
PubChem CID101085781
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole
SMILESCc1cc(C)n([C@H](n2ccc(-c3ccccc3)n2)n2nc(-c3ccccc3)cc2C)n1
InChIInChI=1S/C25H24N6/c1-18-16-19(2)30(26-18)25(29-15-14-23(27-29)21-10-6-4-7-11-21)31-20(3)17-24(28-31)22-12-8-5-9-13-22/h4-17,25H,1-3H3/t25-/m0/s1
InChIKeyKXMQPUXTTJXDNN-VWLOTQADSA-N
XLogP5.09
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole with MolForge

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Related Compounds

4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
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CID 137946
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
1-[[4-(1-Methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole
CID 151105657
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[3-(1H-pyrazol-1-yl)benzyl]methanamine
CID 16188349
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methylethanamine
CID 16189999
1-[3-(1-Methylpyrazol-3-yl)phenyl]-3-phenylurea
CID 2819938
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine
CID 16191021
3-methyl-6-(3-{1-[2-(1-pyrrolidinyl)ethyl]-1H-pyrazol-3-yl}phenyl)pyridazine
CID 29149585
4-(3-Methyl-1-phenyl-1h-pyrazol-5-yl)-1,3-diphenyl-1h-pyrazole
CID 76313403
1'-(3-chlorobenzyl)-1,1''-dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
CID 17026020
4-[1-(4-Fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole
CID 146165854

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole (CID 101085781) is 3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole is Cc1cc(C)n([C@H](n2ccc(-c3ccccc3)n2)n2nc(-c3ccccc3)cc2C)n1.
What is the InChIKey of 3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole?
The InChIKey is KXMQPUXTTJXDNN-VWLOTQADSA-N. The full InChI is InChI=1S/C25H24N6/c1-18-16-19(2)30(26-18)25(29-15-14-23(27-29)21-10-6-4-7-11-21)31-20(3)17-24(28-31)22-12-8-5-9-13-22/h4-17,25H,1-3H3/t25-/m0/s1.
What are the key properties of 3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole?
3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole has a molecular weight of 408.51 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(S)-(5-methyl-3-phenylpyrazol-1-yl)-(3-phenylpyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 101085781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).