N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline

C16H23N3 — CID 63945913

IUPACN-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
SMILESCCCCC(CC)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H23N3/c1-3-5-8-14(4-2)18-15-9-6-7-13(12-15)16-10-11-17-19-16/h6-7,9-12,14,18H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyNHKBQIFLXRBJEC-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.46
Rot. Bonds7

About N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline

N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline (PubChem CID 63945913) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
PubChem CID63945913
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
SMILESCCCCC(CC)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H23N3/c1-3-5-8-14(4-2)18-15-9-6-7-13(12-15)16-10-11-17-19-16/h6-7,9-12,14,18H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyNHKBQIFLXRBJEC-UHFFFAOYSA-N
XLogP4.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745382
N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline
CID 114079537
N-heptan-3-yl-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 63945706
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N-heptan-3-yl-3-propan-2-ylaniline
CID 63946892
N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745402
N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline
CID 43745442
N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62346092

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline (CID 63945913) is N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline is CCCCC(CC)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is NHKBQIFLXRBJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-5-8-14(4-2)18-15-9-6-7-13(12-15)16-10-11-17-19-16/h6-7,9-12,14,18H,3-5,8H2,1-2H3,(H,17,19).
What are the key properties of N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline?
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 257.38 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 63945913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).