3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine

C14H24N6 — CID 66028741

IUPAC3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCCc2cn[nH]c2C)c1N
InChIInChI=1S/C14H24N6/c1-9(2)20-14(13(15)11(4)19-20)16-7-5-6-12-8-17-18-10(12)3/h8-9,16H,5-7,15H2,1-4H3,(H,17,18)
InChIKeyGXYVUOTVNYSPJF-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.43
Rot. Bonds6

About 3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine

3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66028741) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66028741
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCCc2cn[nH]c2C)c1N
InChIInChI=1S/C14H24N6/c1-9(2)20-14(13(15)11(4)19-20)16-7-5-6-12-8-17-18-10(12)3/h8-9,16H,5-7,15H2,1-4H3,(H,17,18)
InChIKeyGXYVUOTVNYSPJF-UHFFFAOYSA-N
XLogP2.43
TPSA84.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine (CID 66028741) is 3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(NCCCc2cn[nH]c2C)c1N.
What is the InChIKey of 3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is GXYVUOTVNYSPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-9(2)20-14(13(15)11(4)19-20)16-7-5-6-12-8-17-18-10(12)3/h8-9,16H,5-7,15H2,1-4H3,(H,17,18).
What are the key properties of 3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine?
3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 276.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66028741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).