N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine

C6H13N3 — CID 144821871

IUPACN-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine
SMILESCNCC1C=C(C)NN1
InChIInChI=1S/C6H13N3/c1-5-3-6(4-7-2)9-8-5/h3,6-9H,4H2,1-2H3
InChIKeyNKQSSYTVWRCIEV-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.41
Rot. Bonds2

About N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine

N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine (PubChem CID 144821871) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine
PubChem CID144821871
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine
SMILESCNCC1C=C(C)NN1
InChIInChI=1S/C6H13N3/c1-5-3-6(4-7-2)9-8-5/h3,6-9H,4H2,1-2H3
InChIKeyNKQSSYTVWRCIEV-UHFFFAOYSA-N
XLogP-0.41
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine (CID 144821871) is N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine is CNCC1C=C(C)NN1.
What is the InChIKey of N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine?
The InChIKey is NKQSSYTVWRCIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-5-3-6(4-7-2)9-8-5/h3,6-9H,4H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine?
N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine has a molecular weight of 127.19 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methanamine is sourced from PubChem (CID 144821871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).