1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine

C13H21N5 — CID 136537212

IUPAC1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine
SMILESCc1cc(CC(C)NC(C)c2ccnn2C)n[nH]1
InChIInChI=1S/C13H21N5/c1-9(7-12-8-10(2)16-17-12)15-11(3)13-5-6-14-18(13)4/h5-6,8-9,11,15H,7H2,1-4H3,(H,16,17)
InChIKeyHNPBIESQQITCOO-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.73
Rot. Bonds5

About 1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine

1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine (PubChem CID 136537212) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine
PubChem CID136537212
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine
SMILESCc1cc(CC(C)NC(C)c2ccnn2C)n[nH]1
InChIInChI=1S/C13H21N5/c1-9(7-12-8-10(2)16-17-12)15-11(3)13-5-6-14-18(13)4/h5-6,8-9,11,15H,7H2,1-4H3,(H,16,17)
InChIKeyHNPBIESQQITCOO-UHFFFAOYSA-N
XLogP1.73
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine (CID 136537212) is 1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine is Cc1cc(CC(C)NC(C)c2ccnn2C)n[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine?
The InChIKey is HNPBIESQQITCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(7-12-8-10(2)16-17-12)15-11(3)13-5-6-14-18(13)4/h5-6,8-9,11,15H,7H2,1-4H3,(H,16,17).
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine?
1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 136537212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).