1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine

C10H17N3 — CID 82409351

IUPAC1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine
SMILESCc1[nH]ncc1CC(N)C1(C)CC1
InChIInChI=1S/C10H17N3/c1-7-8(6-12-13-7)5-9(11)10(2)3-4-10/h6,9H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyPKOJKNOHVKOJRY-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.39
Rot. Bonds3

About 1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine

1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine (PubChem CID 82409351) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine
PubChem CID82409351
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine
SMILESCc1[nH]ncc1CC(N)C1(C)CC1
InChIInChI=1S/C10H17N3/c1-7-8(6-12-13-7)5-9(11)10(2)3-4-10/h6,9H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyPKOJKNOHVKOJRY-UHFFFAOYSA-N
XLogP1.39
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The IUPAC name of 1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine (CID 82409351) is 1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine is Cc1[nH]ncc1CC(N)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The InChIKey is PKOJKNOHVKOJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-8(6-12-13-7)5-9(11)10(2)3-4-10/h6,9H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine?
1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 82409351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).