1-(4-methyl-1H-pyrazol-5-yl)ethanamine

C6H11N3 — CID 82593631

IUPAC1-(4-methyl-1H-pyrazol-5-yl)ethanamine
SMILESCc1cn[nH]c1C(C)N
InChIInChI=1S/C6H11N3/c1-4-3-8-9-6(4)5(2)7/h3,5H,7H2,1-2H3,(H,8,9)
InChIKeyBXJBMAIXIRNLAV-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.74
Rot. Bonds1

About 1-(4-methyl-1H-pyrazol-5-yl)ethanamine

1-(4-methyl-1H-pyrazol-5-yl)ethanamine (PubChem CID 82593631) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(4-methyl-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1H-pyrazol-5-yl)ethanamine
PubChem CID82593631
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-(4-methyl-1H-pyrazol-5-yl)ethanamine
SMILESCc1cn[nH]c1C(C)N
InChIInChI=1S/C6H11N3/c1-4-3-8-9-6(4)5(2)7/h3,5H,7H2,1-2H3,(H,8,9)
InChIKeyBXJBMAIXIRNLAV-UHFFFAOYSA-N
XLogP0.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 43209035
1-(4-cyclopropyl-1H-pyrazol-5-yl)ethanamine
CID 105422572
4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine
CID 82416782
1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 105423244
2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid
CID 82398910
4-methyl-5-(2-methylpropyl)-1H-pyrazole
CID 3805989
4,5-di(propan-2-yl)-1H-pyrazole
CID 18735016
[1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol
CID 125453016
5-iodo-4-methyl-1H-pyrazole
CID 67184620
1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide
CID 104620948
2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104618928
(4-methyl-1H-pyrazol-5-yl)phosphane
CID 166076503

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 1-(4-methyl-1H-pyrazol-5-yl)ethanamine (CID 82593631) is 1-(4-methyl-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-methyl-1H-pyrazol-5-yl)ethanamine is Cc1cn[nH]c1C(C)N.
What is the InChIKey of 1-(4-methyl-1H-pyrazol-5-yl)ethanamine?
The InChIKey is BXJBMAIXIRNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-3-8-9-6(4)5(2)7/h3,5H,7H2,1-2H3,(H,8,9).
What are the key properties of 1-(4-methyl-1H-pyrazol-5-yl)ethanamine?
1-(4-methyl-1H-pyrazol-5-yl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 82593631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).