2,3-di(propan-2-yl)-1,5-dihydropyrazole

C9H18N2 — CID 167370692

IUPAC2,3-di(propan-2-yl)-1,5-dihydropyrazole
SMILESCC(C)C1=CCNN1C(C)C
InChIInChI=1S/C9H18N2/c1-7(2)9-5-6-10-11(9)8(3)4/h5,7-8,10H,6H2,1-4H3
InChIKeyCEXXFDVMCIFCBK-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.75
Rot. Bonds2

About 2,3-di(propan-2-yl)-1,5-dihydropyrazole

2,3-di(propan-2-yl)-1,5-dihydropyrazole (PubChem CID 167370692) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-1,5-dihydropyrazole.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-1,5-dihydropyrazole
PubChem CID167370692
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,3-di(propan-2-yl)-1,5-dihydropyrazole
SMILESCC(C)C1=CCNN1C(C)C
InChIInChI=1S/C9H18N2/c1-7(2)9-5-6-10-11(9)8(3)4/h5,7-8,10H,6H2,1-4H3
InChIKeyCEXXFDVMCIFCBK-UHFFFAOYSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole
CID 162618946
2,4,4-Trimethyl-3-methylidene-1,7-dihydrodiazepine
CID 57785967
2,3,5-Trimethyl-1,5-dihydropyrazole
CID 59073866
(3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole
CID 59864780
5-Tert-butyl-2,3-dimethyl-1,3-dihydropyrazole
CID 72581774
2,3,5-Trimethyl-1,3-dihydropyrazole
CID 90911966
2-ethyl-3,4,6-trimethyl-3,6-dihydro-1H-pyridazine
CID 90965213
2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine
CID 118617278
6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine
CID 123369821
3-Methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole
CID 123632362
2-Methyl-1-(2-methylpropyl)-1-pent-3-en-2-ylhydrazine
CID 123663831
1-Ethyl-2-methyl-1-pent-2-en-3-ylhydrazine
CID 123714087

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-1,5-dihydropyrazole?
The IUPAC name of 2,3-di(propan-2-yl)-1,5-dihydropyrazole (CID 167370692) is 2,3-di(propan-2-yl)-1,5-dihydropyrazole.
What is the SMILES notation for 2,3-di(propan-2-yl)-1,5-dihydropyrazole?
The canonical SMILES for 2,3-di(propan-2-yl)-1,5-dihydropyrazole is CC(C)C1=CCNN1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-1,5-dihydropyrazole?
The InChIKey is CEXXFDVMCIFCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)9-5-6-10-11(9)8(3)4/h5,7-8,10H,6H2,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-1,5-dihydropyrazole?
2,3-di(propan-2-yl)-1,5-dihydropyrazole has a molecular weight of 154.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-1,5-dihydropyrazole is sourced from PubChem (CID 167370692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).