N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine

C15H27N3 — CID 82694409

IUPACN-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
SMILESCCc1cc(CC)n(C(CNC2CC2)C(C)C)n1
InChIInChI=1S/C15H27N3/c1-5-12-9-14(6-2)18(17-12)15(11(3)4)10-16-13-7-8-13/h9,11,13,15-16H,5-8,10H2,1-4H3
InChIKeyGHNMTAGXDGROGN-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.96
Rot. Bonds7

About N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine

N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine (PubChem CID 82694409) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
PubChem CID82694409
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
SMILESCCc1cc(CC)n(C(CNC2CC2)C(C)C)n1
InChIInChI=1S/C15H27N3/c1-5-12-9-14(6-2)18(17-12)15(11(3)4)10-16-13-7-8-13/h9,11,13,15-16H,5-8,10H2,1-4H3
InChIKeyGHNMTAGXDGROGN-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
CID 62447016
3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol
CID 82693019
N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine
CID 81018717
N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 82693803
N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine
CID 62446590
3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine
CID 82695051
N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 82694815
(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
CID 107427777
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017024
3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine
CID 82694867
methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
CID 107427779
2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine
CID 83044068

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine (CID 82694409) is N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine is CCc1cc(CC)n(C(CNC2CC2)C(C)C)n1.
What is the InChIKey of N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine?
The InChIKey is GHNMTAGXDGROGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-12-9-14(6-2)18(17-12)15(11(3)4)10-16-13-7-8-13/h9,11,13,15-16H,5-8,10H2,1-4H3.
What are the key properties of N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine?
N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine has a molecular weight of 249.40 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 82694409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).