3,5-dimethyl-4-propyl-1H-pyrazole

C8H14N2 — CID 12933275

IUPAC3,5-dimethyl-4-propyl-1H-pyrazole
SMILESCCCc1c(C)n[nH]c1C
InChIInChI=1S/C8H14N2/c1-4-5-8-6(2)9-10-7(8)3/h4-5H2,1-3H3,(H,9,10)
InChIKeyCBPLVEKPBMMCPF-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.98
Rot. Bonds2

About 3,5-dimethyl-4-propyl-1H-pyrazole

3,5-dimethyl-4-propyl-1H-pyrazole (PubChem CID 12933275) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3,5-dimethyl-4-propyl-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-propyl-1H-pyrazole
PubChem CID12933275
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3,5-dimethyl-4-propyl-1H-pyrazole
SMILESCCCc1c(C)n[nH]c1C
InChIInChI=1S/C8H14N2/c1-4-5-8-6(2)9-10-7(8)3/h4-5H2,1-3H3,(H,9,10)
InChIKeyCBPLVEKPBMMCPF-UHFFFAOYSA-N
XLogP1.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5-Trimethylpyrazole
CID 138528
3-Pentyl-4,5,6,7-tetrahydro-1H-indazole
CID 585962
3,5-Di-t-butylpyrazole
CID 136912
4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole
CID 572879
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2802863
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 650797
3,5-Dimethyl-4-ethylpyrazole
CID 572877
3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
CID 852826
(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine
CID 572718
3,5-Diethyl-4-methylpyrazole
CID 139517
3-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 312127
3-ethyl-4-methyl-1H-pyrazol-5-amine
CID 3134941

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propyl-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-propyl-1H-pyrazole (CID 12933275) is 3,5-dimethyl-4-propyl-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-propyl-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-propyl-1H-pyrazole is CCCc1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-4-propyl-1H-pyrazole?
The InChIKey is CBPLVEKPBMMCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-8-6(2)9-10-7(8)3/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 3,5-dimethyl-4-propyl-1H-pyrazole?
3,5-dimethyl-4-propyl-1H-pyrazole has a molecular weight of 138.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propyl-1H-pyrazole is sourced from PubChem (CID 12933275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).