4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole

C19H28N6 — CID 155429121

IUPAC4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole
SMILESCc1cn(CCc2c(C)nn(CCc3c(C)n[nH]c3C)c2C)nc1C
InChIInChI=1S/C19H28N6/c1-12-11-24(22-13(12)2)9-7-19-16(5)23-25(17(19)6)10-8-18-14(3)20-21-15(18)4/h11H,7-10H2,1-6H3,(H,20,21)
InChIKeyFOJJNIBPSBENIB-UHFFFAOYSA-N
MW340.48 g/mol
LogP3.14
Rot. Bonds6

About 4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole

4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole (PubChem CID 155429121) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole
PubChem CID155429121
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole
SMILESCc1cn(CCc2c(C)nn(CCc3c(C)n[nH]c3C)c2C)nc1C
InChIInChI=1S/C19H28N6/c1-12-11-24(22-13(12)2)9-7-19-16(5)23-25(17(19)6)10-8-18-14(3)20-21-15(18)4/h11H,7-10H2,1-6H3,(H,20,21)
InChIKeyFOJJNIBPSBENIB-UHFFFAOYSA-N
XLogP3.14
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 72043819
1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 118739821
(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine
CID 97837440
(2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 164636946
1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 126548285
3-(Difluoromethyl)-1,4-dimethylpyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;methane;1,3,4,5-tetramethylpyrazole
CID 160933230
3-(Difluoromethyl)-1,4-dimethylpyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;methane;1,3,4,5-tetramethylpyrazole
CID 161134171
3-(Difluoromethyl)-1,4-dimethylpyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,3,4,5-tetramethylpyrazole
CID 161233308
4-tert-butyl-1-[2-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-methylpropyl]-5-(trifluoromethyl)pyrazole
CID 166765743
ethane;1-ethyl-3-methyl-4-propan-2-ylpyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole
CID 177327637
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 19625492
1-(1,3-dimethylpyrazol-4-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19625568

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole?
The IUPAC name of 4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole (CID 155429121) is 4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole?
The canonical SMILES for 4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole is Cc1cn(CCc2c(C)nn(CCc3c(C)n[nH]c3C)c2C)nc1C.
What is the InChIKey of 4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole?
The InChIKey is FOJJNIBPSBENIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-12-11-24(22-13(12)2)9-7-19-16(5)23-25(17(19)6)10-8-18-14(3)20-21-15(18)4/h11H,7-10H2,1-6H3,(H,20,21).
What are the key properties of 4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole?
4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole has a molecular weight of 340.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 155429121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).