2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine

C17H32N4 — CID 79057663

IUPAC2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCNC(c1ccnn1C)C(CC)(CC)N1CCCC1
InChIInChI=1S/C17H32N4/c1-5-11-18-16(15-10-12-19-20(15)4)17(6-2,7-3)21-13-8-9-14-21/h10,12,16,18H,5-9,11,13-14H2,1-4H3
InChIKeyOIDDJDDUYXQNAV-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.12
Rot. Bonds8

About 2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine

2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79057663) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79057663
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCNC(c1ccnn1C)C(CC)(CC)N1CCCC1
InChIInChI=1S/C17H32N4/c1-5-11-18-16(15-10-12-19-20(15)4)17(6-2,7-3)21-13-8-9-14-21/h10,12,16,18H,5-9,11,13-14H2,1-4H3
InChIKeyOIDDJDDUYXQNAV-UHFFFAOYSA-N
XLogP3.12
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114688377
2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79067188
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056069
2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068153
2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79997745
N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65132859
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
2,2-dimethyl-N-propyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63974473
N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 63963923
[2,2-dimethyl-1-(2-methylpyrazol-3-yl)butyl]hydrazine
CID 105307536

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79057663) is 2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine is CCCNC(c1ccnn1C)C(CC)(CC)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is OIDDJDDUYXQNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-11-18-16(15-10-12-19-20(15)4)17(6-2,7-3)21-13-8-9-14-21/h10,12,16,18H,5-9,11,13-14H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79057663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).