[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine

C12H22N4 — CID 43647568

IUPAC[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine
SMILESCc1nn(CCN2CCCC2)c(C)c1CN
InChIInChI=1S/C12H22N4/c1-10-12(9-13)11(2)16(14-10)8-7-15-5-3-4-6-15/h3-9,13H2,1-2H3
InChIKeyCYFLQAPHMACWGH-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.05
Rot. Bonds4

About [3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine

[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine (PubChem CID 43647568) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine
PubChem CID43647568
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine
SMILESCc1nn(CCN2CCCC2)c(C)c1CN
InChIInChI=1S/C12H22N4/c1-10-12(9-13)11(2)16(14-10)8-7-15-5-3-4-6-15/h3-9,13H2,1-2H3
InChIKeyCYFLQAPHMACWGH-UHFFFAOYSA-N
XLogP1.05
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine
CID 104811561
4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile
CID 43647483
2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol
CID 61071648
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647536
[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62550168
[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 65445831
[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine
CID 66141535
[3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62697887
3,5-dimethyl-1-(2-piperazin-1-ylethyl)pyrazole-4-carboxylic acid
CID 82513910
[1-[(3,3-difluorocyclohexyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 114224424
[1-[(3-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 102856719
5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 82211172

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine (CID 43647568) is [3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine is Cc1nn(CCN2CCCC2)c(C)c1CN.
What is the InChIKey of [3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine?
The InChIKey is CYFLQAPHMACWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-12(9-13)11(2)16(14-10)8-7-15-5-3-4-6-15/h3-9,13H2,1-2H3.
What are the key properties of [3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 43647568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).