N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine

C12H22N4 — CID 63142986

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCN(Cc1cnn(C)c1)CC1(C)CCNC1
InChIInChI=1S/C12H22N4/c1-12(4-5-13-9-12)10-15(2)7-11-6-14-16(3)8-11/h6,8,13H,4-5,7,9-10H2,1-3H3
InChIKeyWJDXFLWBKHXIDQ-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.85
Rot. Bonds4

About N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine

N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 63142986) 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-[(3-methylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
PubChem CID63142986
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCN(Cc1cnn(C)c1)CC1(C)CCNC1
InChIInChI=1S/C12H22N4/c1-12(4-5-13-9-12)10-15(2)7-11-6-14-16(3)8-11/h6,8,13H,4-5,7,9-10H2,1-3H3
InChIKeyWJDXFLWBKHXIDQ-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63143036
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65009934
1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898706
N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120905322
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946233
N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120905321
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride
CID 120898797
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898715
1-(3-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 55164971
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897419
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120899620

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine (CID 63142986) is N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine is CN(Cc1cnn(C)c1)CC1(C)CCNC1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is WJDXFLWBKHXIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(4-5-13-9-12)10-15(2)7-11-6-14-16(3)8-11/h6,8,13H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 0.85, 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-[(3-methylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 63142986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).