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

C11H20N4 — CID 60855406

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CNCc2cnn(C)c2)C1
InChIInChI=1S/C11H20N4/c1-14-4-3-10(8-14)5-12-6-11-7-13-15(2)9-11/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyJITNHFXJHFBTSX-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.46
Rot. Bonds4

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

N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 60855406) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID60855406
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CNCc2cnn(C)c2)C1
InChIInChI=1S/C11H20N4/c1-14-4-3-10(8-14)5-12-6-11-7-13-15(2)9-11/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyJITNHFXJHFBTSX-UHFFFAOYSA-N
XLogP0.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 66400440
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729
1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine
CID 103437599
2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927615
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617071
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 62127942
1-(1-methylpyrrolidin-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60855756
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (CID 60855406) is N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is CN1CCC(CNCc2cnn(C)c2)C1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is JITNHFXJHFBTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-14-4-3-10(8-14)5-12-6-11-7-13-15(2)9-11/h7,9-10,12H,3-6,8H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 208.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 60855406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).