5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine

C18H27N3 — CID 103030099

IUPAC5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine
SMILESCCC(C)C(c1ccccc1)C(N)CCc1cnn(C)c1
InChIInChI=1S/C18H27N3/c1-4-14(2)18(16-8-6-5-7-9-16)17(19)11-10-15-12-20-21(3)13-15/h5-9,12-14,17-18H,4,10-11,19H2,1-3H3
InChIKeyRTTITLGEHXAIHI-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.51
Rot. Bonds7

About 5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine

5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine (PubChem CID 103030099) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine.

Molecular Properties

Compound Name5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine
PubChem CID103030099
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine
SMILESCCC(C)C(c1ccccc1)C(N)CCc1cnn(C)c1
InChIInChI=1S/C18H27N3/c1-4-14(2)18(16-8-6-5-7-9-16)17(19)11-10-15-12-20-21(3)13-15/h5-9,12-14,17-18H,4,10-11,19H2,1-3H3
InChIKeyRTTITLGEHXAIHI-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine
CID 103030204
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103029759
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
CID 103008145
1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780396
N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
CID 103009843
1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029878
1-(4-fluoro-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029968

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine?
The IUPAC name of 5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine (CID 103030099) is 5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine.
What is the SMILES notation for 5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine?
The canonical SMILES for 5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine is CCC(C)C(c1ccccc1)C(N)CCc1cnn(C)c1.
What is the InChIKey of 5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine?
The InChIKey is RTTITLGEHXAIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-14(2)18(16-8-6-5-7-9-16)17(19)11-10-15-12-20-21(3)13-15/h5-9,12-14,17-18H,4,10-11,19H2,1-3H3.
What are the key properties of 5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine?
5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine has a molecular weight of 285.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine is sourced from PubChem (CID 103030099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).