4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine

C9H17N3 — CID 63048639

IUPAC4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine
SMILESCCCc1[nH]nc(NC)c1CC
InChIInChI=1S/C9H17N3/c1-4-6-8-7(5-2)9(10-3)12-11-8/h4-6H2,1-3H3,(H2,10,11,12)
InChIKeyNIJXUHYLRSWSKI-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.97
Rot. Bonds4

About 4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine

4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine (PubChem CID 63048639) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine
PubChem CID63048639
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine
SMILESCCCc1[nH]nc(NC)c1CC
InChIInChI=1S/C9H17N3/c1-4-6-8-7(5-2)9(10-3)12-11-8/h4-6H2,1-3H3,(H2,10,11,12)
InChIKeyNIJXUHYLRSWSKI-UHFFFAOYSA-N
XLogP1.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine?
The IUPAC name of 4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine (CID 63048639) is 4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine is CCCc1[nH]nc(NC)c1CC.
What is the InChIKey of 4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine?
The InChIKey is NIJXUHYLRSWSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-6-8-7(5-2)9(10-3)12-11-8/h4-6H2,1-3H3,(H2,10,11,12).
What are the key properties of 4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine?
4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine has a molecular weight of 167.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-5-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63048639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).