1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine

C14H23N5 — CID 62731853

IUPAC1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(Cc2cnn(C)c2)c1C
InChIInChI=1S/C14H23N5/c1-5-13(15)6-14-10(2)17-19(11(14)3)9-12-7-16-18(4)8-12/h7-8,13H,5-6,9,15H2,1-4H3
InChIKeyIJKFLCVSMDZBNH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.56
Rot. Bonds5

About 1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine

1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine (PubChem CID 62731853) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine
PubChem CID62731853
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(Cc2cnn(C)c2)c1C
InChIInChI=1S/C14H23N5/c1-5-13(15)6-14-10(2)17-19(11(14)3)9-12-7-16-18(4)8-12/h7-8,13H,5-6,9,15H2,1-4H3
InChIKeyIJKFLCVSMDZBNH-UHFFFAOYSA-N
XLogP1.56
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105114109
3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 61311263
1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62730775
1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine
CID 63094958
1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721377
1-[1-[(5-bromo-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 104811061
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
1-[3,5-dimethyl-1-(3-methylsulfanylpropyl)pyrazol-4-yl]butan-2-amine
CID 113474357
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butan-2-amine
CID 62730420
1-[1-[(2,4-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 62729526
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 65178268

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine (CID 62731853) is 1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine is CCC(N)Cc1c(C)nn(Cc2cnn(C)c2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine?
The InChIKey is IJKFLCVSMDZBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-5-13(15)6-14-10(2)17-19(11(14)3)9-12-7-16-18(4)8-12/h7-8,13H,5-6,9,15H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine?
1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 62731853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).