N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine

C14H26N4 — CID 79056069

IUPACN-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCNC(c1ccnn1C)C(C)(C)N1CCCC1
InChIInChI=1S/C14H26N4/c1-5-15-13(12-8-9-16-17(12)4)14(2,3)18-10-6-7-11-18/h8-9,13,15H,5-7,10-11H2,1-4H3
InChIKeyCYWVNQNJEGCXLY-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.95
Rot. Bonds5

About N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine

N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79056069) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79056069
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCNC(c1ccnn1C)C(C)(C)N1CCCC1
InChIInChI=1S/C14H26N4/c1-5-15-13(12-8-9-16-17(12)4)14(2,3)18-10-6-7-11-18/h8-9,13,15H,5-7,10-11H2,1-4H3
InChIKeyCYWVNQNJEGCXLY-UHFFFAOYSA-N
XLogP1.95
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine (CID 79056069) is N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine is CCNC(c1ccnn1C)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is CYWVNQNJEGCXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-15-13(12-8-9-16-17(12)4)14(2,3)18-10-6-7-11-18/h8-9,13,15H,5-7,10-11H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine?
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79056069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).