[(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine

C5H11N3 — CID 122691908

IUPAC[(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine
SMILESCC1=C[C@@H](CN)NN1
InChIInChI=1S/C5H11N3/c1-4-2-5(3-6)8-7-4/h2,5,7-8H,3,6H2,1H3/t5-/m0/s1
InChIKeyMPQIFGSQDDVQHB-YFKPBYRVSA-N
MW113.16 g/mol
LogP-0.67
Rot. Bonds1

About [(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine

[(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine (PubChem CID 122691908) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is [(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine
PubChem CID122691908
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name[(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine
SMILESCC1=C[C@@H](CN)NN1
InChIInChI=1S/C5H11N3/c1-4-2-5(3-6)8-7-4/h2,5,7-8H,3,6H2,1H3/t5-/m0/s1
InChIKeyMPQIFGSQDDVQHB-YFKPBYRVSA-N
XLogP-0.67
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine?
The IUPAC name of [(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine (CID 122691908) is [(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine.
What is the SMILES notation for [(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine?
The canonical SMILES for [(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine is CC1=C[C@@H](CN)NN1.
What is the InChIKey of [(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine?
The InChIKey is MPQIFGSQDDVQHB-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11N3/c1-4-2-5(3-6)8-7-4/h2,5,7-8H,3,6H2,1H3/t5-/m0/s1.
What are the key properties of [(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine?
[(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine has a molecular weight of 113.16 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-methyl-2,3-dihydro-1H-pyrazol-3-yl]methanamine is sourced from PubChem (CID 122691908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).