1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine

C7H13N3 — CID 3136377

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
SMILESCc1n[nH]c(C)c1C(C)N
InChIInChI=1S/C7H13N3/c1-4(8)7-5(2)9-10-6(7)3/h4H,8H2,1-3H3,(H,9,10)
InChIKeyBDDVQOCZUMFMRH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.05
Rot. Bonds1

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine

1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine (PubChem CID 3136377) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
PubChem CID3136377
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
SMILESCc1n[nH]c(C)c1C(C)N
InChIInChI=1S/C7H13N3/c1-4(8)7-5(2)9-10-6(7)3/h4H,8H2,1-3H3,(H,9,10)
InChIKeyBDDVQOCZUMFMRH-UHFFFAOYSA-N
XLogP1.05
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine (CID 3136377) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine is Cc1n[nH]c(C)c1C(C)N.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine?
The InChIKey is BDDVQOCZUMFMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-4(8)7-5(2)9-10-6(7)3/h4H,8H2,1-3H3,(H,9,10).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine?
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 3136377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).