N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine

C14H26N4 — CID 113285223

IUPACN-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1C(C)c1c(C)nn(C)c1C
InChIInChI=1S/C14H26N4/c1-10-14(11(2)17(5)16-10)12(3)18-8-6-7-13(18)9-15-4/h12-13,15H,6-9H2,1-5H3
InChIKeyQNCJMPXATXOSPM-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.78
Rot. Bonds4

About N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine

N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine (PubChem CID 113285223) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine
PubChem CID113285223
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1C(C)c1c(C)nn(C)c1C
InChIInChI=1S/C14H26N4/c1-10-14(11(2)17(5)16-10)12(3)18-8-6-7-13(18)9-15-4/h12-13,15H,6-9H2,1-5H3
InChIKeyQNCJMPXATXOSPM-UHFFFAOYSA-N
XLogP1.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 114080437
[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine
CID 103440773
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 115316280
1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63754412
1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316021
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 119928363
4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 113285153
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316066
1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 107355064
N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine
CID 115316141
1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 112743399

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine (CID 113285223) is N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine is CNCC1CCCN1C(C)c1c(C)nn(C)c1C.
What is the InChIKey of N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine?
The InChIKey is QNCJMPXATXOSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10-14(11(2)17(5)16-10)12(3)18-8-6-7-13(18)9-15-4/h12-13,15H,6-9H2,1-5H3.
What are the key properties of N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine?
N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 113285223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).