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

C9H17N3 — CID 23005817

IUPAC1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine
SMILESCCc1c(C(N)CC)cnn1C
InChIInChI=1S/C9H17N3/c1-4-8(10)7-6-11-12(3)9(7)5-2/h6,8H,4-5,10H2,1-3H3
InChIKeyFHTCQGULJISXPD-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.39
Rot. Bonds3

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

1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 23005817) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine
PubChem CID23005817
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine
SMILESCCc1c(C(N)CC)cnn1C
InChIInChI=1S/C9H17N3/c1-4-8(10)7-6-11-12(3)9(7)5-2/h6,8H,4-5,10H2,1-3H3
InChIKeyFHTCQGULJISXPD-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine
CID 30491833
5-ethyl-4-fluoro-1-methylpyrazole
CID 123448129
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 45490077
1-(1,5-diethylpyrazol-4-yl)ethanamine
CID 23005787
1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103125780
1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine
CID 82407086
1-(5-iodo-1-methylpyrazol-4-yl)but-3-en-1-amine
CID 131110894
1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 82697031
5-ethyl-1,4-di(propan-2-yl)pyrazole
CID 146648119
1-(4-methoxy-1-methylpyrazol-5-yl)pentan-3-amine
CID 114663864
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine
CID 105126212

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine (CID 23005817) is 1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine is CCc1c(C(N)CC)cnn1C.
What is the InChIKey of 1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is FHTCQGULJISXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-8(10)7-6-11-12(3)9(7)5-2/h6,8H,4-5,10H2,1-3H3.
What are the key properties of 1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine?
1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 23005817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).