N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine

C15H27N3 — CID 82697468

IUPACN-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCc1nn(C(C)CC)c(CC)c1CNC1CC1
InChIInChI=1S/C15H27N3/c1-5-11(4)18-15(7-3)13(14(6-2)17-18)10-16-12-8-9-12/h11-12,16H,5-10H2,1-4H3
InChIKeyGCGXJHJGVIFMQA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.23
Rot. Bonds7

About N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine

N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 82697468) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID82697468
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCc1nn(C(C)CC)c(CC)c1CNC1CC1
InChIInChI=1S/C15H27N3/c1-5-11(4)18-15(7-3)13(14(6-2)17-18)10-16-12-8-9-12/h11-12,16H,5-10H2,1-4H3
InChIKeyGCGXJHJGVIFMQA-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 82696836
N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82697373
1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine
CID 82699939
2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine
CID 79225782
N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 107431061
N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine
CID 107431113
N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 107431162
4-(chloromethyl)-3,5-diethyl-1-pentan-3-ylpyrazole
CID 82700486
1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine
CID 82698238
cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine
CID 97336565
N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine
CID 82698359
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82698912

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine (CID 82697468) is N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine is CCc1nn(C(C)CC)c(CC)c1CNC1CC1.
What is the InChIKey of N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is GCGXJHJGVIFMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-11(4)18-15(7-3)13(14(6-2)17-18)10-16-12-8-9-12/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 249.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 82697468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).