N-methyl-1-(1H-pyrazol-4-yl)methanamine

C5H9N3 — CID 22929644

IUPACN-methyl-1-(1H-pyrazol-4-yl)methanamine
SMILESCNCc1cn[nH]c1
InChIInChI=1S/C5H9N3/c1-6-2-5-3-7-8-4-5/h3-4,6H,2H2,1H3,(H,7,8)
InChIKeyNJHKMGYIXSECKA-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.13
Rot. Bonds2

About N-methyl-1-(1H-pyrazol-4-yl)methanamine

N-methyl-1-(1H-pyrazol-4-yl)methanamine (PubChem CID 22929644) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N-methyl-1-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1H-pyrazol-4-yl)methanamine
PubChem CID22929644
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN-methyl-1-(1H-pyrazol-4-yl)methanamine
SMILESCNCc1cn[nH]c1
InChIInChI=1S/C5H9N3/c1-6-2-5-3-7-8-4-5/h3-4,6H,2H2,1H3,(H,7,8)
InChIKeyNJHKMGYIXSECKA-UHFFFAOYSA-N
XLogP0.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine
CID 145008054
4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006
2-fluoro-4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016085
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016129
N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 70458454
N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 61000619
1-methyl-2-[2-(1H-pyrazol-4-yl)ethyl]hydrazine
CID 144949085
4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide
CID 106015963
2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 62677107
2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60735814
1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 61000601

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(1H-pyrazol-4-yl)methanamine (CID 22929644) is N-methyl-1-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(1H-pyrazol-4-yl)methanamine is CNCc1cn[nH]c1.
What is the InChIKey of N-methyl-1-(1H-pyrazol-4-yl)methanamine?
The InChIKey is NJHKMGYIXSECKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-6-2-5-3-7-8-4-5/h3-4,6H,2H2,1H3,(H,7,8).
What are the key properties of N-methyl-1-(1H-pyrazol-4-yl)methanamine?
N-methyl-1-(1H-pyrazol-4-yl)methanamine has a molecular weight of 111.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 22929644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).