N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline

C14H19N3 — CID 43739992

IUPACN-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline
SMILESCC(C)C(C)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C14H19N3/c1-11(2)12(3)16-13-6-4-7-14(10-13)17-9-5-8-15-17/h4-12,16H,1-3H3
InChIKeyYGQNHCURAACVQW-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.33
Rot. Bonds4

About N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline

N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline (PubChem CID 43739992) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline
PubChem CID43739992
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline
SMILESCC(C)C(C)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C14H19N3/c1-11(2)12(3)16-13-6-4-7-14(10-13)17-9-5-8-15-17/h4-12,16H,1-3H3
InChIKeyYGQNHCURAACVQW-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-pyrazol-1-ylanilino)propanoate
CID 66174331
N-[1-(3-bromophenyl)ethyl]-3-pyrazol-1-ylaniline
CID 43740009
N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline
CID 113354869
N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline
CID 43740005
N-(3-methylbutan-2-yl)-3-(1,2,4-triazol-4-yl)aniline
CID 43691997
N-octan-2-yl-3-pyrazol-1-ylaniline
CID 43739980
N-nonan-2-yl-3-pyrazol-1-ylaniline
CID 43739973
3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline
CID 162626213
N-(3-pyrazol-1-ylphenyl)pyridin-4-amine
CID 162626187
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline
CID 43739906
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
N-(3-chlorophenyl)-3-pyrazol-1-ylaniline
CID 162634741

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline?
The IUPAC name of N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline (CID 43739992) is N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline?
The canonical SMILES for N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline is CC(C)C(C)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline?
The InChIKey is YGQNHCURAACVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)12(3)16-13-6-4-7-14(10-13)17-9-5-8-15-17/h4-12,16H,1-3H3.
What are the key properties of N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline?
N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline has a molecular weight of 229.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline is sourced from PubChem (CID 43739992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).