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

C13H21N5 — CID 113334821

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
SMILESCCn1nccc1CNCCCc1cn[nH]c1C
InChIInChI=1S/C13H21N5/c1-3-18-13(6-8-16-18)10-14-7-4-5-12-9-15-17-11(12)2/h6,8-9,14H,3-5,7,10H2,1-2H3,(H,15,17)
InChIKeyLILBWIRLLXFSAU-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.66
Rot. Bonds7

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

N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine (PubChem CID 113334821) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
PubChem CID113334821
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
SMILESCCn1nccc1CNCCCc1cn[nH]c1C
InChIInChI=1S/C13H21N5/c1-3-18-13(6-8-16-18)10-14-7-4-5-12-9-15-17-11(12)2/h6,8-9,14H,3-5,7,10H2,1-2H3,(H,15,17)
InChIKeyLILBWIRLLXFSAU-UHFFFAOYSA-N
XLogP1.66
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine (CID 113334821) is N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine is CCn1nccc1CNCCCc1cn[nH]c1C.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The InChIKey is LILBWIRLLXFSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-18-13(6-8-16-18)10-14-7-4-5-12-9-15-17-11(12)2/h6,8-9,14H,3-5,7,10H2,1-2H3,(H,15,17).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine has a molecular weight of 247.35 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 113334821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).