(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine

C9H17N3 — CID 30491833

IUPAC(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine
SMILESCC[C@H](N)c1cnn(CC)c1C
InChIInChI=1S/C9H17N3/c1-4-9(10)8-6-11-12(5-2)7(8)3/h6,9H,4-5,10H2,1-3H3/t9-/m0/s1
InChIKeyFDHSZTCDUJOQAE-VIFPVBQESA-N
MW167.26 g/mol
LogP1.62
Rot. Bonds3

About (1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine

(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine (PubChem CID 30491833) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine
PubChem CID30491833
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine
SMILESCC[C@H](N)c1cnn(CC)c1C
InChIInChI=1S/C9H17N3/c1-4-9(10)8-6-11-12(5-2)7(8)3/h6,9H,4-5,10H2,1-3H3/t9-/m0/s1
InChIKeyFDHSZTCDUJOQAE-VIFPVBQESA-N
XLogP1.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of (1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine (CID 30491833) is (1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine is CC[C@H](N)c1cnn(CC)c1C.
What is the InChIKey of (1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is FDHSZTCDUJOQAE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17N3/c1-4-9(10)8-6-11-12(5-2)7(8)3/h6,9H,4-5,10H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine?
(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 30491833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).