N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine

C16H27N7 — CID 71928254

IUPACN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(CCn2cccn2)C1
InChIInChI=1S/C16H27N7/c1-4-23-14(2)18-19-16(23)13-20(3)15-6-9-21(12-15)10-11-22-8-5-7-17-22/h5,7-8,15H,4,6,9-13H2,1-3H3
InChIKeyHXGQWZOTWCAGEX-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.01
Rot. Bonds7

About N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine

N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine (PubChem CID 71928254) has the molecular formula C16H27N7 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
PubChem CID71928254
Molecular FormulaC16H27N7
Molecular Weight317.44 g/mol
Exact Mass317.23
IUPAC NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(CCn2cccn2)C1
InChIInChI=1S/C16H27N7/c1-4-23-14(2)18-19-16(23)13-20(3)15-6-9-21(12-15)10-11-22-8-5-7-17-22/h5,7-8,15H,4,6,9-13H2,1-3H3
InChIKeyHXGQWZOTWCAGEX-UHFFFAOYSA-N
XLogP1.01
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine with MolForge

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Related Compounds

1-Methyl-2-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazole
CID 53619483
1-Methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 53627291
3-Cyclopropyl-4-methyl-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 53627292
1-[(1-Methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 56780345
1-Ethyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 56780535
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
CID 71928273
4-[4-Cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3,3-dimethylbutyl)piperidine
CID 72901693
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
CID 75464234
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 53618551
1-(2-Pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
CID 56780654
5-Tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole
CID 71883675
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71894757

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine (CID 71928254) is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine is CCn1c(C)nnc1CN(C)C1CCN(CCn2cccn2)C1.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine?
The InChIKey is HXGQWZOTWCAGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7/c1-4-23-14(2)18-19-16(23)13-20(3)15-6-9-21(12-15)10-11-22-8-5-7-17-22/h5,7-8,15H,4,6,9-13H2,1-3H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine?
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine has a molecular weight of 317.44 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71928254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).