N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine

C12H22N4 — CID 106602551

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCC(c1cnn(C)c1)N(C)CC1CCCN1
InChIInChI=1S/C12H22N4/c1-10(11-7-14-16(3)8-11)15(2)9-12-5-4-6-13-12/h7-8,10,12-13H,4-6,9H2,1-3H3
InChIKeyLCNJNQNTUYJBGR-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.16
Rot. Bonds4

About N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine

N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106602551) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106602551
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCC(c1cnn(C)c1)N(C)CC1CCCN1
InChIInChI=1S/C12H22N4/c1-10(11-7-14-16(3)8-11)15(2)9-12-5-4-6-13-12/h7-8,10,12-13H,4-6,9H2,1-3H3
InChIKeyLCNJNQNTUYJBGR-UHFFFAOYSA-N
XLogP1.16
TPSA33.09 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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603461
1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602368
N-[1-(1-ethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602881
N-methyl-N-(piperidin-2-ylmethyl)-1-pyridin-4-ylethanamine
CID 106623108
N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116977565
N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 106602715
(1S)-N-methyl-1-pyrazin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 129426014
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622998
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622995
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 171834779

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106602551) is N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine is CC(c1cnn(C)c1)N(C)CC1CCCN1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is LCNJNQNTUYJBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(11-7-14-16(3)8-11)15(2)9-12-5-4-6-13-12/h7-8,10,12-13H,4-6,9H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 222.34 g/mol, XLogP of 1.16, 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-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106602551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).