N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine

C12H21N3 — CID 115708660

IUPACN-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCC(NCCCn1cccn1)C1(C)CC1
InChIInChI=1S/C12H21N3/c1-11(12(2)5-6-12)13-7-3-9-15-10-4-8-14-15/h4,8,10-11,13H,3,5-7,9H2,1-2H3
InChIKeyXJEOSJVISIRAIF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.05
Rot. Bonds6

About N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine

N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine (PubChem CID 115708660) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
PubChem CID115708660
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCC(NCCCn1cccn1)C1(C)CC1
InChIInChI=1S/C12H21N3/c1-11(12(2)5-6-12)13-7-3-9-15-10-4-8-14-15/h4,8,10-11,13H,3,5-7,9H2,1-2H3
InChIKeyXJEOSJVISIRAIF-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.05
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-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 115708587
3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine
CID 115708657
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
N-(3-pyrazol-1-ylpropyl)octan-2-amine
CID 112700088
N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 115716332
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115898295
(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 106932499
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708566
N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 112700053
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine (CID 115708660) is N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine is CC(NCCCn1cccn1)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is XJEOSJVISIRAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(12(2)5-6-12)13-7-3-9-15-10-4-8-14-15/h4,8,10-11,13H,3,5-7,9H2,1-2H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 115708660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).