3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine

C9H17N3 — CID 105433576

IUPAC3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine
SMILESCCn1ccc(CCCNC)n1
InChIInChI=1S/C9H17N3/c1-3-12-8-6-9(11-12)5-4-7-10-2/h6,8,10H,3-5,7H2,1-2H3
InChIKeyITMSMWNLTFURTG-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.05
Rot. Bonds5

About 3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine

3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine (PubChem CID 105433576) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine
PubChem CID105433576
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine
SMILESCCn1ccc(CCCNC)n1
InChIInChI=1S/C9H17N3/c1-3-12-8-6-9(11-12)5-4-7-10-2/h6,8,10H,3-5,7H2,1-2H3
InChIKeyITMSMWNLTFURTG-UHFFFAOYSA-N
XLogP1.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898
3-butyl-1-propylpyrazole
CID 90936272
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride
CID 126968027
3-(butoxymethyl)-1-ethylpyrazole
CID 122170489
3-(1-ethylpyrazol-3-yl)propanoic acid;methanamine
CID 144584790
N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 19619321
N-methyl-1-(1-propylpyrazol-3-yl)methanamine
CID 19620904
1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole
CID 155007224
2-(1-ethylpyrazol-3-yl)acetamide
CID 130626486
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
1-ethyl-3-methylpyrazole
CID 12002774

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine (CID 105433576) is 3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine is CCn1ccc(CCCNC)n1.
What is the InChIKey of 3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine?
The InChIKey is ITMSMWNLTFURTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-12-8-6-9(11-12)5-4-7-10-2/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of 3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine?
3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 105433576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).