1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine

C13H24N4 — CID 103975488

IUPAC1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCc1nn(C)cc1C(C)N1CCC(C(C)N)C1
InChIInChI=1S/C13H24N4/c1-9(14)12-5-6-17(7-12)11(3)13-8-16(4)15-10(13)2/h8-9,11-12H,5-7,14H2,1-4H3
InChIKeyYTPRXXPUVLZKSP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.46
Rot. Bonds3

About 1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine

1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine (PubChem CID 103975488) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
PubChem CID103975488
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCc1nn(C)cc1C(C)N1CCC(C(C)N)C1
InChIInChI=1S/C13H24N4/c1-9(14)12-5-6-17(7-12)11(3)13-8-16(4)15-10(13)2/h8-9,11-12H,5-7,14H2,1-4H3
InChIKeyYTPRXXPUVLZKSP-UHFFFAOYSA-N
XLogP1.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975656
1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630248
1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid
CID 65197311
2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 83088760
(3S,4S)-1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086418
1-[1-[1-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630096
1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975691
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine
CID 115311879
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
1-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 83683542
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975552

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine (CID 103975488) is 1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine is Cc1nn(C)cc1C(C)N1CCC(C(C)N)C1.
What is the InChIKey of 1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is YTPRXXPUVLZKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(14)12-5-6-17(7-12)11(3)13-8-16(4)15-10(13)2/h8-9,11-12H,5-7,14H2,1-4H3.
What are the key properties of 1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).