N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine

C11H20N4 — CID 107424714

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine
SMILESCc1cc(CNC2(C)CCNC2)n(C)n1
InChIInChI=1S/C11H20N4/c1-9-6-10(15(3)14-9)7-13-11(2)4-5-12-8-11/h6,12-13H,4-5,7-8H2,1-3H3
InChIKeyAVCRUOMFPJWZBB-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.57
Rot. Bonds3

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine (PubChem CID 107424714) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine
PubChem CID107424714
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine
SMILESCc1cc(CNC2(C)CCNC2)n(C)n1
InChIInChI=1S/C11H20N4/c1-9-6-10(15(3)14-9)7-13-11(2)4-5-12-8-11/h6,12-13H,4-5,7-8H2,1-3H3
InChIKeyAVCRUOMFPJWZBB-UHFFFAOYSA-N
XLogP0.57
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol
CID 114235666
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine
CID 79997673
N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424600
2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 114217953
N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424604
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
CID 114978838
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79358821
N-ethyl-3-methylpyrrolidin-3-amine
CID 107423762
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine
CID 165412148
3-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107424178
N-[(5-chloropyrazin-2-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424751
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423504

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine (CID 107424714) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine is Cc1cc(CNC2(C)CCNC2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine?
The InChIKey is AVCRUOMFPJWZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-6-10(15(3)14-9)7-13-11(2)4-5-12-8-11/h6,12-13H,4-5,7-8H2,1-3H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 107424714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).