3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

C12H21N3 — CID 103002222

IUPAC3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCn1cc(CCNCCCC2CC2)cn1
InChIInChI=1S/C12H21N3/c1-15-10-12(9-14-15)6-8-13-7-2-3-11-4-5-11/h9-11,13H,2-8H2,1H3
InChIKeyCECKNEJJGJOLNZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds7

About 3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 103002222) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID103002222
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCn1cc(CCNCCCC2CC2)cn1
InChIInChI=1S/C12H21N3/c1-15-10-12(9-14-15)6-8-13-7-2-3-11-4-5-11/h9-11,13H,2-8H2,1H3
InChIKeyCECKNEJJGJOLNZ-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.74
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

4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106133809
6-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]hexan-1-amine
CID 107844230
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103002144
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
N-[(3-chlorocyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103015220
N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
CID 103001382
3-imidazol-1-yl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80689787
N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide
CID 80689002
N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
CID 80683127
2,2-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanenitrile
CID 80688978
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (CID 103002222) is 3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is Cn1cc(CCNCCCC2CC2)cn1.
What is the InChIKey of 3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is CECKNEJJGJOLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-15-10-12(9-14-15)6-8-13-7-2-3-11-4-5-11/h9-11,13H,2-8H2,1H3.
What are the key properties of 3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103002222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).