4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole

C17H24N2 — CID 59479881

IUPAC4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole
SMILESCC(C)(C)Cc1cnn(CCCc2ccccc2)c1
InChIInChI=1S/C17H24N2/c1-17(2,3)12-16-13-18-19(14-16)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12H2,1-3H3
InChIKeyBSROJMPFZYCTCO-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.10
Rot. Bonds5

About 4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole

4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole (PubChem CID 59479881) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole
PubChem CID59479881
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole
SMILESCC(C)(C)Cc1cnn(CCCc2ccccc2)c1
InChIInChI=1S/C17H24N2/c1-17(2,3)12-16-13-18-19(14-16)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12H2,1-3H3
InChIKeyBSROJMPFZYCTCO-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,5-dimethylhexyl)-4-(2,2-dimethylpropyl)pyrazole
CID 158565632
N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 55134665
4-(1-chloroethyl)-1-(3-phenylpropyl)pyrazole
CID 62732024
2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 155403634
4-ethenyl-1-(3-phenylpropyl)pyrazole
CID 122240918
1-(3-phenylpropyl)pyrazole-4-sulfonyl chloride
CID 60912373
2-methoxy-N-[[1-(4-phenylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 114334601
2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride
CID 161483819
2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine
CID 63999545
1,4-dipentylpyrazole
CID 70562897
1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine
CID 62137722
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole (CID 59479881) is 4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole is CC(C)(C)Cc1cnn(CCCc2ccccc2)c1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole?
The InChIKey is BSROJMPFZYCTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-17(2,3)12-16-13-18-19(14-16)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole?
4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole has a molecular weight of 256.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole is sourced from PubChem (CID 59479881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).