2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine

C12H22N4 — CID 79056047

IUPAC2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCn1cc(C(N)C(C)(C)N2CCCC2)cn1
InChIInChI=1S/C12H22N4/c1-12(2,16-6-4-5-7-16)11(13)10-8-14-15(3)9-10/h8-9,11H,4-7,13H2,1-3H3
InChIKeyFYGDHKHJOKRTCF-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.29
Rot. Bonds3

About 2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine

2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79056047) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79056047
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCn1cc(C(N)C(C)(C)N2CCCC2)cn1
InChIInChI=1S/C12H22N4/c1-12(2,16-6-4-5-7-16)11(13)10-8-14-15(3)9-10/h8-9,11H,4-7,13H2,1-3H3
InChIKeyFYGDHKHJOKRTCF-UHFFFAOYSA-N
XLogP1.29
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol
CID 79051966
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 79051106
4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103011040
1-(3,5-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79045322
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-methylpropan-1-amine
CID 79050777
1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069578
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
2-(azepan-1-yl)-1-(3,4-dimethylphenyl)-2-methylpropan-1-amine
CID 79051219
2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 79050763
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656613
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79703609
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656621

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine (CID 79056047) is 2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine is Cn1cc(C(N)C(C)(C)N2CCCC2)cn1.
What is the InChIKey of 2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is FYGDHKHJOKRTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2,16-6-4-5-7-16)11(13)10-8-14-15(3)9-10/h8-9,11H,4-7,13H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine?
2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79056047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).