2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C14H23N5 — CID 105154876

IUPAC2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H23N5/c1-9(2)19-7-6-12(17-19)8-13(15)14-10(3)16-18(5)11(14)4/h6-7,9,13H,8,15H2,1-5H3
InChIKeyDDRLTXDGQQRSEP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.06
Rot. Bonds4

About 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105154876) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105154876
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H23N5/c1-9(2)19-7-6-12(17-19)8-13(15)14-10(3)16-18(5)11(14)4/h6-7,9,13H,8,15H2,1-5H3
InChIKeyDDRLTXDGQQRSEP-UHFFFAOYSA-N
XLogP2.06
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105103448
1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154948
1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990024
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975691
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 115580072
1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 65136247
2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107311802
1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107985060
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105152416

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105154876) is 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1C(N)Cc1ccn(C(C)C)n1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is DDRLTXDGQQRSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-9(2)19-7-6-12(17-19)8-13(15)14-10(3)16-18(5)11(14)4/h6-7,9,13H,8,15H2,1-5H3.
What are the key properties of 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105154876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).