3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole

C17H28N4 — CID 170364696

IUPAC3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole
SMILESCC(CC(C)(C)c1ccn(C)n1)n1ccc(C(C)(C)C)n1
InChIInChI=1S/C17H28N4/c1-13(21-11-9-14(19-21)16(2,3)4)12-17(5,6)15-8-10-20(7)18-15/h8-11,13H,12H2,1-7H3
InChIKeyUBZZYXXABARNPR-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.84
Rot. Bonds4

About 3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole

3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole (PubChem CID 170364696) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole.

Molecular Properties

Compound Name3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole
PubChem CID170364696
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole
SMILESCC(CC(C)(C)c1ccn(C)n1)n1ccc(C(C)(C)C)n1
InChIInChI=1S/C17H28N4/c1-13(21-11-9-14(19-21)16(2,3)4)12-17(5,6)15-8-10-20(7)18-15/h8-11,13H,12H2,1-7H3
InChIKeyUBZZYXXABARNPR-UHFFFAOYSA-N
XLogP3.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-2-methylpentan-2-yl)-1-methylpyrazole
CID 103131988
2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol
CID 130529005
3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol
CID 103130270
1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166550
2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine
CID 103132884
2-hydroxy-2-(1-methylpyrazol-3-yl)propanal
CID 103130216
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
(1S)-1-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanol
CID 124638248
1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine
CID 112709168
3-tert-butyl-1-(2,2-difluoroethyl)pyrazole
CID 154655757
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82876652
3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid
CID 118871823

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole?
The IUPAC name of 3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole (CID 170364696) is 3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole.
What is the SMILES notation for 3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole?
The canonical SMILES for 3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole is CC(CC(C)(C)c1ccn(C)n1)n1ccc(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole?
The InChIKey is UBZZYXXABARNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13(21-11-9-14(19-21)16(2,3)4)12-17(5,6)15-8-10-20(7)18-15/h8-11,13H,12H2,1-7H3.
What are the key properties of 3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole?
3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole has a molecular weight of 288.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole is sourced from PubChem (CID 170364696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).