N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine

C14H25N3 — CID 105151550

IUPACN-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1cnn(C)c1C
InChIInChI=1S/C14H25N3/c1-4-8-15-14(9-12-6-5-7-12)13-10-16-17(3)11(13)2/h10,12,14-15H,4-9H2,1-3H3
InChIKeySBNJAGCDIPWXJI-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.96
Rot. Bonds6

About N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 105151550) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID105151550
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1cnn(C)c1C
InChIInChI=1S/C14H25N3/c1-4-8-15-14(9-12-6-5-7-12)13-10-16-17(3)11(13)2/h10,12,14-15H,4-9H2,1-3H3
InChIKeySBNJAGCDIPWXJI-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-3-ethyl-N-propylpentan-1-amine
CID 105176674
2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 105100749
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 79584820
methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate
CID 79595786
1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine
CID 105181368
N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105154418
1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine
CID 105161099
N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 105138910
N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105085259
N-[2-cyclobutyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethyl]propan-1-amine
CID 105151585
[3-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propyl]hydrazine
CID 105315128

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine (CID 105151550) is N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(CC1CCC1)c1cnn(C)c1C.
What is the InChIKey of N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is SBNJAGCDIPWXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-8-15-14(9-12-6-5-7-12)13-10-16-17(3)11(13)2/h10,12,14-15H,4-9H2,1-3H3.
What are the key properties of N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105151550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).