N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine

C15H27N3 — CID 81018717

IUPACN-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine
SMILESCCc1cc(CC(C)CCNC2CC2)n(CC)n1
InChIInChI=1S/C15H27N3/c1-4-13-11-15(18(5-2)17-13)10-12(3)8-9-16-14-6-7-14/h11-12,14,16H,4-10H2,1-3H3
InChIKeyLUXRDRMZKWRFEV-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.79
Rot. Bonds8

About N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine

N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine (PubChem CID 81018717) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine
PubChem CID81018717
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine
SMILESCCc1cc(CC(C)CCNC2CC2)n(CC)n1
InChIInChI=1S/C15H27N3/c1-4-13-11-15(18(5-2)17-13)10-12(3)8-9-16-14-6-7-14/h11-12,14,16H,4-10H2,1-3H3
InChIKeyLUXRDRMZKWRFEV-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116559398
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017024
N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
CID 82882697
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033085
2-cyclopentyl-3-(1,3-diethylpyrazol-5-yl)-N-ethylpropan-1-amine
CID 115926572
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79664163
1-(1,3-diethylpyrazol-5-yl)-N-propan-2-ylhexan-2-amine
CID 79412564
N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
CID 82694409
1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 103170098
4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81020037
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine
CID 105001734

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine (CID 81018717) is N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine is CCc1cc(CC(C)CCNC2CC2)n(CC)n1.
What is the InChIKey of N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine?
The InChIKey is LUXRDRMZKWRFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-13-11-15(18(5-2)17-13)10-12(3)8-9-16-14-6-7-14/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine?
N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine has a molecular weight of 249.40 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 81018717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).