N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C13H24N4 — CID 79238263

IUPACN-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCCNC1CCN(Cc2c(C)nn(C)c2C)C1
InChIInChI=1S/C13H24N4/c1-5-14-12-6-7-17(8-12)9-13-10(2)15-16(4)11(13)3/h12,14H,5-9H2,1-4H3
InChIKeyYWSYMTBXFGUGRO-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.22
Rot. Bonds4

About N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 79238263) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID79238263
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCCNC1CCN(Cc2c(C)nn(C)c2C)C1
InChIInChI=1S/C13H24N4/c1-5-14-12-6-7-17(8-12)9-13-10(2)15-16(4)11(13)3/h12,14H,5-9H2,1-4H3
InChIKeyYWSYMTBXFGUGRO-UHFFFAOYSA-N
XLogP1.22
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 79238625
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
(3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97337709
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 19623264
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272
N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine
CID 55046124
1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 103614691
1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole
CID 155139116
ethyl (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 42574885
2-methyl-2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 83199001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 79238263) is N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is CCNC1CCN(Cc2c(C)nn(C)c2C)C1.
What is the InChIKey of N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is YWSYMTBXFGUGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-14-12-6-7-17(8-12)9-13-10(2)15-16(4)11(13)3/h12,14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 79238263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).