N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline

C14H19N3 — CID 54863485

IUPACN-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline
SMILESCCC(C)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C14H19N3/c1-3-12(2)16-14-7-5-13(6-8-14)11-17-10-4-9-15-17/h4-10,12,16H,3,11H2,1-2H3
InChIKeyKWWGGRZXQAWWIJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.14
Rot. Bonds5

About N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline

N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline (PubChem CID 54863485) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline
PubChem CID54863485
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline
SMILESCCC(C)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C14H19N3/c1-3-12(2)16-14-7-5-13(6-8-14)11-17-10-4-9-15-17/h4-10,12,16H,3,11H2,1-2H3
InChIKeyKWWGGRZXQAWWIJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-4-(pyrazol-1-ylmethyl)aniline
CID 104663721
2-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 115353094
N-[(1R)-1-(6-chloro-3-pyridinyl)ethyl]-4-(pyrazol-1-ylmethyl)aniline
CID 97306808
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970
1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole
CID 112573677
N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline
CID 104861739
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline (CID 54863485) is N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline is CCC(C)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline?
The InChIKey is KWWGGRZXQAWWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-12(2)16-14-7-5-13(6-8-14)11-17-10-4-9-15-17/h4-10,12,16H,3,11H2,1-2H3.
What are the key properties of N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline?
N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline has a molecular weight of 229.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 54863485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).