2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine

C14H23N5 — CID 79485663

IUPAC2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCc1nn(C)c(C)c1-c1[nH]ncc1CNCC(C)C
InChIInChI=1S/C14H23N5/c1-9(2)6-15-7-12-8-16-17-14(12)13-10(3)18-19(5)11(13)4/h8-9,15H,6-7H2,1-5H3,(H,16,17)
InChIKeyJRNJKIYHGKLLPU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.17
Rot. Bonds5

About 2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 79485663) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID79485663
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCc1nn(C)c(C)c1-c1[nH]ncc1CNCC(C)C
InChIInChI=1S/C14H23N5/c1-9(2)6-15-7-12-8-16-17-14(12)13-10(3)18-19(5)11(13)4/h8-9,15H,6-7H2,1-5H3,(H,16,17)
InChIKeyJRNJKIYHGKLLPU-UHFFFAOYSA-N
XLogP2.17
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 79485663) is 2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine is Cc1nn(C)c(C)c1-c1[nH]ncc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is JRNJKIYHGKLLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-9(2)6-15-7-12-8-16-17-14(12)13-10(3)18-19(5)11(13)4/h8-9,15H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79485663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).