N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline

C14H19N3 — CID 61324337

IUPACN-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline
SMILESCC(C)(C)CNc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H19N3/c1-14(2,3)10-15-12-6-4-11(5-7-12)13-8-9-16-17-13/h4-9,15H,10H2,1-3H3,(H,16,17)
InChIKeyWAXDOCGXUNDXCQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.53
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline

N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline (PubChem CID 61324337) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline
PubChem CID61324337
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline
SMILESCC(C)(C)CNc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H19N3/c1-14(2,3)10-15-12-6-4-11(5-7-12)13-8-9-16-17-13/h4-9,15H,10H2,1-3H3,(H,16,17)
InChIKeyWAXDOCGXUNDXCQ-UHFFFAOYSA-N
XLogP3.53
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline (CID 61324337) is N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline is CC(C)(C)CNc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline?
The InChIKey is WAXDOCGXUNDXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2,3)10-15-12-6-4-11(5-7-12)13-8-9-16-17-13/h4-9,15H,10H2,1-3H3,(H,16,17).
What are the key properties of N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline?
N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline has a molecular weight of 229.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 61324337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).