N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine

C18H27N3 — CID 105124562

IUPACN-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine
SMILESCCCCCCCC(NC)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H27N3/c1-3-4-5-6-10-13-17(19-2)18-14-15-21(20-18)16-11-8-7-9-12-16/h7-9,11-12,14-15,17,19H,3-6,10,13H2,1-2H3
InChIKeyBPTWDRQVXLBFJQ-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.49
Rot. Bonds9

About N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine

N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine (PubChem CID 105124562) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine
PubChem CID105124562
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine
SMILESCCCCCCCC(NC)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H27N3/c1-3-4-5-6-10-13-17(19-2)18-14-15-21(20-18)16-11-8-7-9-12-16/h7-9,11-12,14-15,17,19H,3-6,10,13H2,1-2H3
InChIKeyBPTWDRQVXLBFJQ-UHFFFAOYSA-N
XLogP4.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.49
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

1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124905
N-methyl-1-(1-methylpyrazol-3-yl)heptan-1-amine
CID 65200418
4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105190345
1-(1-phenylpyrazol-3-yl)oct-7-enylhydrazine
CID 107013000
3-hexan-3-yl-1-phenylpyrazole
CID 154966414
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
N-ethyl-1-(1-phenylpyrazol-3-yl)hex-4-yn-1-amine
CID 105181624
N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine
CID 105108672
N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine
CID 107974273
N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
[4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine
CID 105313886
N-methyl-1-(1-methylimidazol-4-yl)hexan-1-amine
CID 107974330

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine?
The IUPAC name of N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine (CID 105124562) is N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine.
What is the SMILES notation for N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine?
The canonical SMILES for N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine is CCCCCCCC(NC)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine?
The InChIKey is BPTWDRQVXLBFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-4-5-6-10-13-17(19-2)18-14-15-21(20-18)16-11-8-7-9-12-16/h7-9,11-12,14-15,17,19H,3-6,10,13H2,1-2H3.
What are the key properties of N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine?
N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine is sourced from PubChem (CID 105124562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).