3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole

C17H31N5 — CID 165046807

IUPAC3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole
SMILESCC(C)C1=CC(C(C)C)N=N1.CC(C)c1cn(C(C)C)nn1
InChIInChI=1S/C9H16N2.C8H15N3/c1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8/h5-8H,1-4H3;5-7H,1-4H3
InChIKeyPAPQWINIVUHMJW-UHFFFAOYSA-N
MW305.47 g/mol
LogP5.00
Rot. Bonds4

About 3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole

3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole (PubChem CID 165046807) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole
PubChem CID165046807
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole
SMILESCC(C)C1=CC(C(C)C)N=N1.CC(C)c1cn(C(C)C)nn1
InChIInChI=1S/C9H16N2.C8H15N3/c1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8/h5-8H,1-4H3;5-7H,1-4H3
InChIKeyPAPQWINIVUHMJW-UHFFFAOYSA-N
XLogP5.00
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 163923227
2,4-dimethylpentane;bis(1,4-di(propan-2-yl)triazole);bis(1,5-di(propan-2-yl)triazole)
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trimethyl-(1-propan-2-yltriazol-4-yl)silane
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4-(1-propan-2-yltriazol-4-yl)piperidine
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(4-propan-2-yltriazol-1-yl)methylphosphane
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3-methyl-1-(1-propan-2-yltriazol-4-yl)butan-2-one
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CID 170178991
4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole
CID 123770086
1,4-di(propan-2-yl)triazole;[(4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methyl 3-methylbutanoate
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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole?
The IUPAC name of 3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole (CID 165046807) is 3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole?
The canonical SMILES for 3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole is CC(C)C1=CC(C(C)C)N=N1.CC(C)c1cn(C(C)C)nn1.
What is the InChIKey of 3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole?
The InChIKey is PAPQWINIVUHMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C8H15N3/c1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8/h5-8H,1-4H3;5-7H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole?
3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole has a molecular weight of 305.47 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole is sourced from PubChem (CID 165046807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).