1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine

C8H15N3O — CID 43662264

IUPAC1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
SMILESCOCC(C)NCc1ccn[nH]1
InChIInChI=1S/C8H15N3O/c1-7(6-12-2)9-5-8-3-4-10-11-8/h3-4,7,9H,5-6H2,1-2H3,(H,10,11)
InChIKeyHUMFQTMJKFZNLN-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.53
Rot. Bonds5

About 1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine

1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine (PubChem CID 43662264) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
PubChem CID43662264
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
SMILESCOCC(C)NCc1ccn[nH]1
InChIInChI=1S/C8H15N3O/c1-7(6-12-2)9-5-8-3-4-10-11-8/h3-4,7,9H,5-6H2,1-2H3,(H,10,11)
InChIKeyHUMFQTMJKFZNLN-UHFFFAOYSA-N
XLogP0.53
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
The IUPAC name of 1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine (CID 43662264) is 1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine is COCC(C)NCc1ccn[nH]1.
What is the InChIKey of 1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
The InChIKey is HUMFQTMJKFZNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(6-12-2)9-5-8-3-4-10-11-8/h3-4,7,9H,5-6H2,1-2H3,(H,10,11).
What are the key properties of 1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine has a molecular weight of 169.23 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 43662264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).