1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine

C15H25N5 — CID 82697031

IUPAC1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCc1nn(Cc2cnn(C)c2)c(CC)c1C(N)CC
InChIInChI=1S/C15H25N5/c1-5-12(16)15-13(6-2)18-20(14(15)7-3)10-11-8-17-19(4)9-11/h8-9,12H,5-7,10,16H2,1-4H3
InChIKeyLLPMPAOKUNGMJH-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.20
Rot. Bonds6

About 1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine

1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 82697031) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID82697031
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCc1nn(Cc2cnn(C)c2)c(CC)c1C(N)CC
InChIInChI=1S/C15H25N5/c1-5-12(16)15-13(6-2)18-20(14(15)7-3)10-11-8-17-19(4)9-11/h8-9,12H,5-7,10,16H2,1-4H3
InChIKeyLLPMPAOKUNGMJH-UHFFFAOYSA-N
XLogP2.20
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazole
CID 82698887
N-[[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 82700301
1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 82700203
1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 82698387
(1R)-1-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]propan-1-amine
CID 104942643
5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine
CID 79542052
1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-amine
CID 103037060
1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731853
1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 106730624
4-(1-chloropropyl)-3,5-diethyl-1-[(4-iodophenyl)methyl]pyrazole
CID 82699488
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol
CID 82700058
1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol
CID 82698546

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine (CID 82697031) is 1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine is CCc1nn(Cc2cnn(C)c2)c(CC)c1C(N)CC.
What is the InChIKey of 1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is LLPMPAOKUNGMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-12(16)15-13(6-2)18-20(14(15)7-3)10-11-8-17-19(4)9-11/h8-9,12H,5-7,10,16H2,1-4H3.
What are the key properties of 1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine?
1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 82697031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).